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Chemical Name: (1S,6S,7R,8R,8aR)-1,6,7,8-Tetrahydroxyindolizidine Synonyms

  • Castanospermine
  • CAS
  • CAST
  • Indolizine der.

  • NSC625381
AIDS# 000138
Click For Structure Based Search Links to ChemID Plus by CAS#

79831-76-8

Links to PubChem by AIDS#

000138


ISOLATED FROM SEEDS OF CASTANOSPERMUM AUSTRALE (MORETON BAY CHESNUT); (+) FORM 
C8 H15 N O4  MW: 189.21 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 5 PHIA (Flexible Bonds): 2.29 Calc. LogP
(MDL QSAR): -1.92
Company:  BOEHRINGER MANNHEIM; MERRELL DOW Calc. LogP
(KowWin): -2.25

Lines of Data: 47

Lines of Data: 7

Lines of Data: 5
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 18

Number of References: 5

Number of References: 3
Lipinski:    4                     (Score, out of 4)
Classes: GLUCOSIDASE INHIBITORS; GLYCOSIDASE INHIBITORS; GLYCOSYLATION INHIBITORS; NATURAL PRODUCTS; ALKALOIDS; CASTANOSPERMINES

 

Chemical Name: 1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene Synonyms

  • Papaverine
  • RS 47
  • Ceraspan
  • Pavabid

  • NSC35443 (HCL)
AIDS# 000185
Click For Structure Based Search Links to ChemID Plus by CAS#

58-74-2 [FREE BASE]

61-25-6 [HCL]

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000185


ISOLATED FROM PAPAVER SOMNIFERUM; OR HYDROCHLORIDE SALT 
C20 H21 N O4  MW: 339.39 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 5 PHIA (Flexible Bonds): 5.4 Calc. LogP
(MDL QSAR): 3.5
Company:  LIRCA; HOECHST MARION ROUSSEL Calc. LogP
(KowWin): 3.69

Lines of Data: 11

Lines of Data: 1

Lines of Data: 6
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 2

Number of References: 1

Number of References: 2
Lipinski:    4                     (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS; ISOQUINOLINES

 

Chemical Name: N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide Synonyms

  • Colchicin
  • Colchicina
  • Colchicine
  • Colchineos
  • Colchisol
  • Colcin
  • Colsaloid
  • Condylon

  • NSC757
AIDS# 000216
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64-86-8

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000216


 
C22 H25 N O6  MW: 399.44 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 7 PHIA (Flexible Bonds): 6.56 Calc. LogP
(MDL QSAR): 1.53
Company:  Calc. LogP
(KowWin): 1.86

Lines of Data: 5

Lines of Data: 1

Lines of Data: 15
TB Min MIC

   
TB Min IC50

<  10  uM
 Links to NIST by AIDS#


Number of References: 4

Number of References: 1

Number of References: 9
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; ANTIVIRALS; ALKALOIDS; NATURAL PRODUCTS, PLANT; COLCHICINES

 

Chemical Name: 1,6,7,8-Indolizinetetrol, octahydro-, [1R-(1a,6a,7a,8b,8ab)]- Synonyms

  • L-6-Epicastanospermine
  • LECast
  • 6-epi-Castanospermine
AIDS# 001113
Click For Structure Based Search Links to ChemID Plus by CAS#

117894-11-8

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001113


 
C8 H15 N O4  MW: 189.21 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 5 PHIA (Flexible Bonds): 2.29 Calc. LogP
(MDL QSAR): -1.92
Company:  MARION MERRELL DOW Calc. LogP
(KowWin): -2.25

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 2
Number of References: 0
Number of References: 0
Lipinski:    4                     (Score, out of 4)
Classes: ALKALOIDS; GLYCOSYLATION INHIBITORS; CASTANOSPERMINES; PYRROLIZINES

 

Chemical Name: Ajmalan-17,21-.alpha.diol Synonyms

  • Ajmaline
  • Cardiorythmine
  • Gilurytmal
  • Pseudobrucine
  • Rauwolfine
  • Ritmos
  • Tachmalin

  • NSC15627; NSC628054
AIDS# 001595
Click For Structure Based Search Links to ChemID Plus by CAS#

4360-12-7

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001595


 
C20 H26 N2 O2  MW: 326.44 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 4 PHIA (Flexible Bonds): 2.52 Calc. LogP
(MDL QSAR): 1.6
Company:  Calc. LogP
(KowWin): 1.88

Lines of Data: 2
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 2
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS, PLANT; LUPINANES

 

Chemical Name: 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine Synonyms

  • Tetrahydropalmatine
  • Hyndarin

  • NSC36363 (HCL)
AIDS# 002241
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4880-82-4 [HCL]

Links to PubChem by AIDS#

002241


S-ISOMER; OR HYDROCHLORIDE SALT 
C21 H25 N O4  MW: 355.43 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 5 PHIA (Flexible Bonds): 4.82 Calc. LogP
(MDL QSAR): 2.81
Company:  Calc. LogP
(KowWin): 3.32
Anti-HIV Cellular data: 0

Lines of Data: 4
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 3
Number of References: 0
Lipinski:    4                     (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS, PLANT

 

Chemical Name: {Benzo[c]phenanthridinium,} 2-hydroxy-3,8,9-trimethoxy-5-methyl-, chloride (MF1); 3,8,9-Trimethoxy-5-methyl-5lambda~5~-benzo[c]phenanthridin-2-ol Synonyms

  • Fagaronine
  • Fagaronine chloride

  • NSC157995 (CHLORIDE SALT)
AIDS# 002403
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52259-65-1 [FAGARONINE]

52259-64-0 [CHLORIDE SALT]

Links to PubChem by AIDS#

002403


ISOLATED FROM FAGARA ZANTHOXYLOIDES; CHLORIDE SALT 
C21 H20 N O4  MW: 350.39 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 5 PHIA (Flexible Bonds): 4.19 Calc. LogP
(MDL QSAR): 4.84
Company:  Calc. LogP
(KowWin): 4.03
Anti-HIV Cellular data: 0

Lines of Data: 6

Lines of Data: 1
TB Min MIC

>  12.5  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 5

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NATURAL PRODUCTS; ALKALOIDS; BENZOPHENANTHRIDINES; QUINOLINES, FUSED; ISOQUINOLINES, FUSED

 

Chemical Name: Dibenzo[a,g]quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy- Synonyms

  • 5, 6-Dihydro-2-hydroxy-3, 9, 10-trimethoxydibenzo[a, g]quinolizinium iodide
  • Columbamine iodide
  • Protoberberine alkaloid
  • Dehydroisocorypalmine
AIDS# 002643
Click For Structure Based Search Links to ChemID Plus by CAS#

3621-36-1

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002643


IODIDE 
C20 H20 N O4  MW: 338.38 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 5 PHIA (Flexible Bonds): 4.11 Calc. LogP
(MDL QSAR): 4.85
Company:  Calc. LogP
(KowWin): 3.88
Anti-HIV Cellular data: 0

Lines of Data: 1
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 1
Number of References: 0
Lipinski:    4                     (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS, PLANT; ISOQUINOLINES, FUSED

 

Chemical Name: 2H-Benzo[a]quinolizine, 2-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2R,3R,11bS)- Synonyms

  • Emetan, 1', 2'-didehydro-6', 7', 10, 11-tetramethoxy-
  • O-Methylpsychotrine
  • Methylpsychotrine
AIDS# 002644
Click For Structure Based Search Links to ChemID Plus by CAS#

523-01-3

Links to PubChem by AIDS#

002644


.7H2O, SULFATE SALT 
C29 H38 N2 O4  MW: 478.63 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 7.37 Calc. LogP
(MDL QSAR): 6.37
Company:  Calc. LogP
(KowWin): 7.52
Anti-HIV Cellular data: 0

Lines of Data: 6
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 3
Number of References: 0
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKALOIDS; NATURAL PRODUCTS, PLANT; 3,4-DIHYDROISOQUINOLINES

 

Chemical Name: (1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol; (1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol; L-alpha-(1-Methylaminoethyl)benzyl alcohol Synonyms

  • L-(-)-Ephedrine
  • Mandrin
  • Sanedrine
  • 1-Sedrin
  • Fedrin
  • Ephedrol
  • Ephedrin

  • NSC8971; NSC170951
AIDS# 002645
Click For Structure Based Search Links to ChemID Plus by CAS#

299-42-350906-05-3 [HEMIHYDRATE]

134-72-5 [SULFATE 2:1]

321-96-0 [DELETED]

6912-63-6 [DELETED]

50-98-6 [HYDROCHLORIDE]

Links to PubChem by AIDS#

002645


L-(-)-ISOMER; (1R,2S)-(-)-ISOMER; OR SULFATE SALT (2:1); OR HYDROCHLORIDE SALT 
C10 H15 N O  MW: 165.23 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 2 PHIA (Flexible Bonds): 3.26 Calc. LogP
(MDL QSAR): 1.16
Company:  LILLY; BOEHRINGER MANNHEIM Calc. LogP
(KowWin): 0.68
Anti-HIV Cellular data: 0

Lines of Data: 1
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 1
Number of References: 0
Lipinski:    4                     (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS, PLANT

 

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