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Chemical Name: 7',10,11-Trimethoxyemetan-6'-ol Synonyms

  • Cephaelinel
  • Isoquinoline alkaloid
  • Cephaeline

  • NSC32944 (DIHYDROCHLORIDE)
AIDS# 002677
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483-17-05853-29-2 [DIHYDROCHLORIDE]

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002677


ISOLATED FROM URAGOGA IPECACUANHA; OR DIHYDROCHLORIDE SALT; OR DIHYDROCHLORIDE, HEPTAHYDRATE 
C28 H38 N2 O4  MW: 466.62 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 6 PHIA (Flexible Bonds): 7.07 Calc. LogP
(MDL QSAR): 4.86
Company:  Calc. LogP
(KowWin): 4.89

Lines of Data: 1

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 3
Number of References: 0
Lipinski:    4                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKALOIDS; NATURAL PRODUCTS, PLANT; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 6',7',10,11-Tetramethoxyemetan Synonyms

  • Isoquinoline alkaloid
  • Emetine
  • 6', 7', 10, 11-Tetramethoxyemetan
  • Cephaeline methyl ether

  • NSC33669 (HYDROCHLORIDE)
AIDS# 002678
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483-18-1 [FREE BASE]

316-42-7 [DIHYDROCHLORIDE]

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002678


ISOLATED FROM URAGOGA IPECACUANHA; HYDROCHLORIDE SALT; OR DIHYDROCHLORIDE SALT 
C29 H40 N2 O4  MW: 480.65 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 6 PHIA (Flexible Bonds): 7.58 Calc. LogP
(MDL QSAR): 5.62
Company:  Calc. LogP
(KowWin): 5.2

Lines of Data: 2

Lines of Data: 4

Lines of Data: 1
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 3

Number of References: 1
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKALOIDS; NATURAL PRODUCTS, PLANT; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 4H-Dibenzo[de,g]quinoline, 9-[4,5-dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (6aS)- Synonyms

  • 4H-Dibenzo(de, g)quinoline, 9-(4, 5-dimethoxy-2-((1, 2, 3, 4-tetrahydro-6, 7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5, 6, 6a, 7-tetrahydro-1, 2, 10-trimethoxy-6-methyl-, (S-(R*, R*))-
  • Thalicarpine
  • Isoquinoline alkaloid

  • NSC68075
AIDS# 002681
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5373-42-2

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002681


 
C41 H48 N2 O8  MW: 696.84 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 10 PHIA (Flexible Bonds): 10.44 Calc. LogP
(MDL QSAR): 6.09
Company:  Calc. LogP
(KowWin): 5.54

Lines of Data: 1

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 1
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS, PLANT; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6-6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol], (1R,3R,5S,1'R,3'R,5'S) Synonyms

  • Michellamine A
  • (-)-Michellamine A

  • NSC650898
AIDS# 003609
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137793-81-8

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003609


(-) 
C46 H48 N2 O8  MW: 756.89 Links to PubMed by CAS#

H-bond donors: 8 H-bond acceptors: 10 PHIA (Flexible Bonds): 9.66 Calc. LogP
(MDL QSAR): 1.7
Company:  Calc. LogP
(KowWin): 9.19

Lines of Data: 7
Anti-HIV Enzyme data: 0
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 4
Number of References: 0
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NATURAL PRODUCTS, PLANT; BINAPHTHALENES; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol], (1R,3R,5R,1'R,3'R,5'S) Synonyms

  • Michellamine B
  • (-)-Michellamine B

  • NSC649324 (FREE BASE); NSC661755 (DIACETATE SALT)
AIDS# 003610
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137893-48-2 [FREE BASE]

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003610


ISOLATED FROM ANCISTROCLADUS ABBREVIATUS; (-); M,P ORIENTATION ON TERMINAL RINGS; OR DIACETATE SALT 
C46 H48 N2 O8  MW: 756.89 Links to PubMed by CAS#

H-bond donors: 8 H-bond acceptors: 10 PHIA (Flexible Bonds): 9.66 Calc. LogP
(MDL QSAR): 1.7
Company:  Calc. LogP
(KowWin): 9.19

Lines of Data: 40

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 6

Number of References: 1
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NATURAL PRODUCTS, PLANT; BINAPHTHALENES; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 2,3-Didehydro-6',7',10,11-tetramethoxyemetan Synonyms

  • Dehydroemetine
  • Ipecac alkaloid
AIDS# 003623
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4914-30-1

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003623


(-) 
C29 H38 N2 O4  MW: 478.63 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 6 PHIA (Flexible Bonds): 7.39 Calc. LogP
(MDL QSAR): 5.2
Company:  Calc. LogP
(KowWin): 5.24
Anti-HIV Cellular data: 0

Lines of Data: 3

Lines of Data: 2
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 2

Number of References: 1
Lipinski:    3                     (Score, out of 4)
Classes: SEMI-SYNTHETICS; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: alpha.-[[(1,1-Dimethylethyl)sulfonyl]methyl]-N-[1-[[[2-hydroxy-3-[1-(trifluoromethyl)-1,2,3,4-tetrahydro-2-isoquinolinyl]-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-1-naphthalenepropanamid Synonyms

  • HOEtNH2 isostere
  • CF3-isoquinol der.
AIDS# 005149
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005149


 
C43 H52 F3 N3 O5 S  MW: 779.96 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 11 PHIA (Flexible Bonds): 13.4 Calc. LogP
(MDL QSAR): 7.03
Company:  BAYER AG Calc. LogP
(KowWin): 6.55

Lines of Data: 1

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

   
TB Min IC50

   
Links to NIST by AIDS#

005149


Number of References: 1

Number of References: 1
Number of References: 0
Lipinski:    1                     (Score, out of 4)
Classes: PEPTIDOMIMETICS, HYDROXYETHYLAMINE; HIV PROTEASE INHIBITORS; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 5,5-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol], (1R,3R,5R,1'R,3'R,5'R) Synonyms

  • Michellamine C
AIDS# 005324
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143168-23-4

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005324


M,M (TERMINAL RING ORIENTATION) 
C46 H48 N2 O8  MW: 756.89 Links to PubMed by CAS#

H-bond donors: 8 H-bond acceptors: 10 PHIA (Flexible Bonds): 9.66 Calc. LogP
(MDL QSAR): 1.7
Company:  Calc. LogP
(KowWin): 9.19

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: 1
Number of References: 0
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NATURAL PRODUCTS; BINAPHTHALENES; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: 2,4-Diamino-5-[4-chloro-3-(tetrahydroisoquinoline-2-ylazo)phenyl]-6-ethylpyrimidine Synonyms
AIDS# 007515
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007515


 
C21 H22 Cl N7  MW: 407.91 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 8 PHIA (Flexible Bonds): 5.64 Calc. LogP
(MDL QSAR): 2.36
Company:  ASTON MOLECULES LTD. Calc. LogP
(KowWin): 4.74
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: DIHYDROFOLATE REDUCTASE (DHFR) INHIBITORS; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

Chemical Name: Carbamic acid, [(1S)-2-[(1R)-1-[[(2R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester Synonyms

  • Emetine der.

  • NSC109350
AIDS# 011190
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011190


 
C45 H58 N4 O7  MW: 766.97 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 10 PHIA (Flexible Bonds): 12.37 Calc. LogP
(MDL QSAR): 5.07
Company:  Calc. LogP
(KowWin): 7.78

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: INDOLES; 1,2,3,4-TETRAHYDROISOQUINOLINES

 

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