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Name:INHIBITOR Q8467 OF DUPONT MERCK
PubChem ID:448069
Pathway:-
InChI:InChI=1/C34H36N4O4S/c39-30-28(19-23-8-3-1-4-9-23)37(21-25-14-15-25)34(42)38(29(31(30)40)20-24-10-5-2-6-11-24)22-26-12-7-13-27(18-26)32(41)36-33-35-16-17-43-33/h1-13,16-18,25,28-31,39-40H,14-15,19-22H2,(H,35,36,41)/t28-,29-,30+,31+/m1/s1/f/h36H
SMILES:c1ccc(cc1)C[C@H]1[C@@H]([C@@H]([C@H](Cc2ccccc2)N(Cc2cccc(c2)C(Nc2nccs2)=O)C(N1CC1CC1)=O)O)O

Properties:
Formula:C34H36N4O4SAtoms:47
Molecular Weight:596.739Rotatable Bonds:11
H-bond Acceptors:6H-bond Donors:0
logP:4.9362
Targets:
NameUniprot IDSourceReferencesInteraction
Gag-Pol polyproteinPOL_HV1H2DrugBank-shows
Synonyms:
1,3-Diazepine deriv.
1qbu
3-[[(4R,5S,6S,7R)-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide
AC1L9LKE
AIDS-043311
AIDS043311
CHEBI:187920
CHEBI:40328
CHEMBL301213
CID448069
DB04609
INHIBITOR Q8467 OF DUPONT MERCK
Q8467
[4R-(4.alpha.,5.alpha.,5.beta.,7.beta.)]-3-[[3-(Cyclopropylmethyl)hexahydr
[4R-(4.alpha.,5.alpha.,5.beta.,7.beta.)]-3-[[3-(Cyclopropylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl]methyl]-N-2-thiazolylbenzamide
[4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]METHYL-2-THIAZOLYLBENZAMIDE