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Drug Details

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Name:1,3-Diazepine deriv.
PubChem ID:444672
Pathway:-
InChI:InChI=1/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61)/t41-,42-,43+,44+/m1/s1/f/h50,52,54-55H
SMILES:c1ccc(cc1)C[C@H]1[C@@H]([C@@H]([C@H](Cc2ccccc2)N(Cc2cccc(c2)C(Nc2[nH]c3ccccc3n2)=O)C(N1Cc1cccc(c1)C(Nc1[nH]c2ccccc2n1)=O)=O)O)O

Properties:
Formula:C49H44N8O5Atoms:66
Molecular Weight:824.924Rotatable Bonds:14
H-bond Acceptors:11H-bond Donors:0
logP:7.3478
Targets:
NameUniprot IDSourceReferencesInteraction
Gag-Pol polyproteinPOL_HV1H2DrugBank-shows
Synonyms:
(4R-(4alpha,5alpha,6beta,7beta))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7
(4R-(4alpha,5alpha,6beta,7beta))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-1H-benzimidazol-2-ylbenzamide)
1,3-Diazepine deriv.
183854-21-9
1bwb
1qbt
AC1L9GP3
AIDS-043319
AIDS043319
CHEMBL11266
CID444672
SD146
[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]-bis(methylene)]bis[N-1H-benzimidazol-2-ylbenzamide]
[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]