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Chemical Name: Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl- Synonyms

  • A 050165L302
  • Bruneomycin
  • Nigrin
  • Streptonigrin
  • Rufocromomycin

  • NSC45383; NSC83950
AIDS# 000083
Click For Structure Based Search Links to ChemID Plus by CAS#

3930-19-6

Links to PubChem by AIDS#

000083


ISOLATED FROM STREPTOMYCES FLOCCULUS 
C25 H22 N4 O8  MW: 506.47 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 12 PHIA (Flexible Bonds): 6.9 Calc. LogP
(MDL QSAR): 1.76
Company:  HIROSHIMA UNIV; GSK Calc. LogP
(KowWin): -0.47

Lines of Data: 10

Lines of Data: 2
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 2
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: ANTINEOPLASTICS; ANTIBIOTICS; NATURAL PRODUCTS; MYCINS; BENZOQUINONES, FUSED

 

Chemical Name: (8S-cis)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione Synonyms

  • Doxorubicin
  • Adriamycin
  • FI 106
  • ADM
  • Doxo

  • NSC123127 (FREE BASE)
AIDS# 000122
Click For Structure Based Search Links to ChemID Plus by CAS#

25316-40-9 [FREE BASE]

Links to PubChem by AIDS#

000122


ISOLATED FROM STREPTOMYCES PEUCETIUS VAR CAESIUS; OR HYDROCHLORIDE SALT 
C27 H29 N O11  MW: 543.52 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 12 PHIA (Flexible Bonds): 7.04 Calc. LogP
(MDL QSAR): 0.78
Company:  FARMITALIA; GSK Calc. LogP
(KowWin): 1.85

Lines of Data: 17

Lines of Data: 16

Lines of Data: 9
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 5

Number of References: 7

Number of References: 5
Lipinski:    1                     (Score, out of 4)
Classes: INTEGRASE INHIBITORS; ANTHRACYCLINES; NATURAL PRODUCTS; ANTIBIOTICS; ANTINEOPLASTICS; MYCINS

 

Chemical Name: (8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro--6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione Synonyms

  • Daunorubicin
  • Daunomycin
  • Anthracyline
  • Rubidomycin
  • Rubomycin C
  • Cerubidine
  • VS-103
  • FI 6339
  • NDC 0082-4155
  • RP 13057

  • NSC82151 (HYDROCHLORIDE)
AIDS# 000123
Click For Structure Based Search Links to ChemID Plus by CAS#

20830-81-323541-50-6 [HYDROCHLORIDE]

1407-15-4 [DELETED]

Links to PubChem by AIDS#

000123


ISOLATED FROM STREPTOMYCES PEUCETIUS; OR HYDROCHLORIDE SALT 
C27 H29 N O10  MW: 527.52 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 11 PHIA (Flexible Bonds): 6.61 Calc. LogP
(MDL QSAR): 1.79
Company:  RHONE-POULENC RORER Calc. LogP
(KowWin): 2.19

Lines of Data: 6

Lines of Data: 5

Lines of Data: 11
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3

Number of References: 4

Number of References: 5
Lipinski:    2                     (Score, out of 4)
Classes: ANTHRACYCLINES; ANTIBIOTICS; ANTINEOPLASTICS; NATURAL PRODUCTS; MYCINS

 

Chemical Name: 2-Ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]-oxy]-1-naphthacenecarboxalic acid methyl ester Synonyms

  • Aclarubicin
  • Jaclacin
  • Spartanamicin B
  • Aclacinomycin A

  • NSC208734
AIDS# 000124
Click For Structure Based Search Links to ChemID Plus by CAS#

57576-44-0

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000124


ISOLATED FROM STREPTOMYCES GALILAEUS 
C42 H53 N O15  MW: 811.87 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 16 PHIA (Flexible Bonds): 12.23 Calc. LogP
(MDL QSAR): 1.72
Company:  BRISTOL-MYERS SQUIBB Calc. LogP
(KowWin): 2.53

Lines of Data: 1
Anti-HIV Enzyme data: 0

Lines of Data: 11
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 3
Lipinski:    2                     (Score, out of 4)
Classes: NATURAL PRODUCTS; ANTIBIOTICS; ANTINEOPLASTICS; ANTHRACYCLINES; MYCINS

 

Chemical Name: 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3a,4a,8a,9b,11a,13a,14b,16b,17Z)- Synonyms

  • 16-(Acetyloxy)-3, 11-dihydroxy-29-nordammara-17(20), 24-dien-21-oic acid
  • Fusidic acid
  • SQ 16, 603
  • Fucidin
AIDS# 000132
Click For Structure Based Search Links to ChemID Plus by CAS#

6990-06-3 [FREE ACID]

Links to PubChem by AIDS#

000132


Z-ISOMER; ISOLATED FROM FUSIDIUM COCCINEUM; OR SODIUM SALT 
C31 H48 O6  MW: 516.71 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 6 PHIA (Flexible Bonds): 7.75 Calc. LogP
(MDL QSAR): 1.92
Company:  BRISTOL-MYERS SQUIBB; LEO LABORATORIES Calc. LogP
(KowWin): 6.75

Lines of Data: 7
Anti-HIV Enzyme data: 0

Lines of Data: 52
TB Min MIC

  2  uM
TB Min IC50

<  0.1  uM
 Links to NIST by AIDS#


Number of References: 4
Number of References: 0

Number of References: 9
Lipinski:    3                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; STEROIDS; ANTIBIOTICS; NATURAL PRODUCTS; CELL SURFACE BINDING INHIBITORS; ANTIMYCOBACTERIALS

 

Chemical Name: 7-Chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide Synonyms

  • Demeclocycline
  • Declomycin
AIDS# 000214
Click For Structure Based Search Links to ChemID Plus by CAS#

64-73-3

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000214


ISOLATED FROM STREPTOMYCES AUREOFACIENS; HYDROCHLORIDE SALT 
C21 H21 Cl N2 O8  MW: 464.86 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 11 PHIA (Flexible Bonds): 5.27 Calc. LogP
(MDL QSAR): -0.19
Company:  AMERICAN CYANAMID Calc. LogP
(KowWin): -1.14
Anti-HIV Cellular data: 0

Lines of Data: 1

Lines of Data: 1
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 1

Number of References: 1
Lipinski:    2                     (Score, out of 4)
Classes: ANTIBIOTICS; MYCINS; TETRACYCLINES; ANTIMYCOBACTERIALS

 

Chemical Name: Rifamycin; 2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18R,19R,20R,21S,22R,23S)- Synonyms

  • Rifamycin SV
  • Tuborin
  • Rifamycin
  • Rifocin

  • NSC133100 (MONOSODIUM SALT)
AIDS# 000215
Click For Structure Based Search Links to ChemID Plus by CAS#

6998-60-315105-92-7 [MONOSODIUM SALT]

Links to PubChem by AIDS#

000215


LOG P CALCULATED USING EXPERIMENTAL VALUE ADJUSTED (EVA) METHOD; EXPERIMENTAL LOG P VALUE OF 0.78 FOR RIFAMYCIN SV USED; MONOSODIUM SALT 
C37 H47 N O12  MW: 697.77 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 13 PHIA (Flexible Bonds): 12.12 Calc. LogP
(MDL QSAR): 5.7
Company:  Calc. LogP
(KowWin): 4.14

Lines of Data: 2

Lines of Data: 1

Lines of Data: 64
TB Min MIC

<=  0.005  UG/ML
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 1

Number of References: 14
Lipinski:    0                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; SEMI-SYNTHETICS; ANTIBIOTICS; RIFAMYCINS; MYCINS; ANTIMYCOBACTERIALS

 

Chemical Name: Oxiranecarboxamide, 3-[(4E,7E)-1-Oxo-4,7-nonadienyl]-, (2R,3S)- Synonyms

  • Cerulenin
  • Helicocerin
  • CRL

  • NSC116069
AIDS# 000236
Click For Structure Based Search Links to ChemID Plus by CAS#

17397-89-6

Links to PubChem by AIDS#

000236


ISOLATED FROM CEPHALOSPORIN CAERULENS, ACRYOCYLIDRIUM ORYZAE, HELICOCERAS ORYZAE 
C12 H17 N O3  MW: 223.27 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 4 PHIA (Flexible Bonds): 5.08 Calc. LogP
(MDL QSAR): 0.55
Company:  Calc. LogP
(KowWin): 1.74

Lines of Data: 3

Lines of Data: 5

Lines of Data: 70
TB Min MIC

  0.5  ug/mL
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3

Number of References: 4

Number of References: 13
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; OXIRANES; HIV PROTEASE INHIBITORS; ANTIBIOTICS; NATURAL PRODUCTS; ANTIFUNGALS; ANTIMYCOBACTERIALS

 

Chemical Name: 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]- Synonyms

  • Aureomycin
  • Chlorotetracycline
  • Lymecycline

  • NSC13252 (HYDROCHLORIDE SALT)
AIDS# 000243
Click For Structure Based Search Links to ChemID Plus by CAS#

57-62-5 [FREE BASE]

64-72-2 [HYDROCHLORIDE SALT]

Links to PubChem by AIDS#

000243


ISOLATED FROM STREPTOMYCES AUREOFACIENS; HYDROCHLORIDE SALT 
C22 H23 Cl N2 O8  MW: 478.88 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 11 PHIA (Flexible Bonds): 5.32 Calc. LogP
(MDL QSAR): 0.34
Company:  AMERICAN CYANAMID Calc. LogP
(KowWin): -0.68

Lines of Data: 1

Lines of Data: 1

Lines of Data: 9
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 1

Number of References: 3
Lipinski:    2                     (Score, out of 4)
Classes: NATURAL PRODUCTS; ANTIBIOTICS; MYCINS; TETRACYCLINES

 

Chemical Name: D-Alanine, N-[[(5S,6S)-5-[[4,6-dideoxy-4-(methylamino)-3-O-.beta.-D-xylopyranosyl-.beta.-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]- Synonyms

  • Pradimicin A
  • BMY 28567
  • PRM-A
AIDS# 000290
Click For Structure Based Search Links to ChemID Plus by CAS#

117704-65-1

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000290


ISOLATED FROM ACTINOMADURA HIBISCA NO. P157-2 
C40 H44 N2 O18  MW: 840.78 Links to PubMed by CAS#

H-bond donors: 11 H-bond acceptors: 20 PHIA (Flexible Bonds): 12.06 Calc. LogP
(MDL QSAR): 0.09
Company:  BRISTOL-MYERS Calc. LogP
(KowWin): 3.01

Lines of Data: 38

Lines of Data: 12

Lines of Data: 58
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 4

Number of References: 3

Number of References: 9
Lipinski:    1                     (Score, out of 4)
Classes: MANNOSE-BINDING AGENTS; QUINONES; NATURAL PRODUCTS; ANTIBIOTICS; PRADIMICINS; ANTIFUNGALS; ANTHRACYCLINES

 

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