Organism

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Organism

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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
					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: 1',15-Didehydro-7',10,11-trimethoxyemetan-6'-ol			Synonyms Psychotrine Isoquinoline alkaloid		AIDS# 002680
					Links to ChemID Plus by CAS# 7633-29-6
					Links to PubChem by AIDS# 002680
ISOLATED FROM URAGOGA IPECACUANHA
C28 H36 N2 O4		MW: 464.6			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 6	PHIA (Flexible Bonds): 6.87	Calc. LogP (MDL QSAR): 5.81
Company:			Calc. LogP (KowWin): 7.22
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: 3 (Score, out of 4)
Classes: ALKALOIDS; NATURAL PRODUCTS, PLANT; 3,4-DIHYDROISOQUINOLINES

Chemical Name: Emetan-6'-ol, 1',2'-didehydro-7',10,11-trimethoxy-, ethanedioate (1:2) (salt)			Synonyms PDO Ipecac alkaloid Psychotrine dihydrogen oxalate		AIDS# 003624
					Links to ChemID Plus by CAS# 30959-09-2
					Links to PubChem by AIDS# 003624
OXALATE APPEARS TO INFLUENCE RT ACTIVITY
C28 H36 N2 O4 . C2 H2 O4		MW: 554.64			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 10	PHIA (Flexible Bonds): 9.96	Calc. LogP (MDL QSAR): -3.37
Company:			Calc. LogP (KowWin):
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: 3 (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKALOIDS; NATURAL PRODUCTS, PLANT; 3,4-DIHYDROISOQUINOLINES

Chemical Name: 5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)[3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol],[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol],(3R,5R,1'R,3'R,5'S)			Synonyms Michellamine F		AIDS# 058072
					Links to ChemID Plus by CAS# 191539-54-5
					Links to PubChem by AIDS# 058072
M,P ORIENTATION ON TERMINAL RINGS
C47 H48 N2 O8		MW: 768.9			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 10	PHIA (Flexible Bonds): 9.93	Calc. LogP (MDL QSAR): 2.15
Company:			Calc. LogP (KowWin): 12.08
Lines of Data: 4	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; 3,4-DIHYDROISOQUINOLINES; 1,2,3,4-TETRAHYDROISOQUINOLINES

Chemical Name: (1R,3R)-5-[1,1'-Dihydroxy-4'-((R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydro-isoquinolin-7-yl)-8,8'-dimethoxy-6,6'-dimethyl-[2,2']binaphthalenyl-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,8-			Synonyms Korundamine A		AIDS# 093845
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093845
ISOLATED FROM ANCISTROCLADUS KORUPENSIS
C47 H48 N2 O8		MW: 768.9			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 10	PHIA (Flexible Bonds): 9.93	Calc. LogP (MDL QSAR): 2.33
Company:			Calc. LogP (KowWin): 11.08
Lines of Data: 4	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; NAPHTHALENES; BINAPHTHALENES; 1,2,3,4-TETRAHYDROISOQUINOLINES; 3,4-DIHYDROISOQUINOLINES

Chemical Name: Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-			Synonyms		AIDS# 110262
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 110262

C11 H14 N O2		MW: 192.24			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 3	PHIA (Flexible Bonds): 2.72	Calc. LogP (MDL QSAR): 2.68
Company:			Calc. LogP (KowWin): 2.98
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: 4 (Score, out of 4)
Classes: 3,4-DIHYDROISOQUINOLINES

Chemical Name: O,N-Tribenzyl-1-propyl-3,4-dihydroisoquinolinium			Synonyms		AIDS# 110267
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 110267
SALT
C33 H34 N O2		MW: 476.64			Links to PubMed by CAS#
H-bond donors: 0	H-bond acceptors: 3	PHIA (Flexible Bonds): 8.14	Calc. LogP (MDL QSAR): 8.69
Company:			Calc. LogP (KowWin): 4.09
Lines of Data: 1	Anti-HIV Enzyme data: 0	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 1	Lipinski: 3 (Score, out of 4)
Classes: 3,4-DIHYDROISOQUINOLINES

Chemical Name: 1,2-Dipropyl-3,4-dihydroisoquinoline-6,7-diol			Synonyms		AIDS# 114930
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 114930

C15 H22 N O2		MW: 248.34			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 3	PHIA (Flexible Bonds): 4.27	Calc. LogP (MDL QSAR): 4.2
Company:			Calc. LogP (KowWin): -0.65
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 1	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: 3,4-DIHYDROISOQUINOLINES

Chemical Name: 6-Methoxy-3,4-dihydro-7-isoquinolinol			Synonyms NSC627589		AIDS# 132833
					Links to ChemID Plus by CAS# 4602-73-7
					Links to PubChem by AIDS# 132833

C10 H11 N O2		MW: 177.2			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 3	PHIA (Flexible Bonds): 2.12	Calc. LogP (MDL QSAR): 2.2
Company:			Calc. LogP (KowWin): 2.68
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: 4 (Score, out of 4)
Classes: 3,4-DIHYDROISOQUINOLINES

Chemical Name: 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline			Synonyms NSC629156		AIDS# 133466
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 133466

C20 H22 Br N O4		MW: 420.3			Links to PubMed by CAS#
H-bond donors: 0	H-bond acceptors: 5	PHIA (Flexible Bonds): 6.21	Calc. LogP (MDL QSAR): 3.5
Company:			Calc. LogP (KowWin): 6.38
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: 4 (Score, out of 4)
Classes: 3,4-DIHYDROISOQUINOLINES

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