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Drug Details

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Name:CHEMBL172845
PubChem ID:44384642
Pathway:-
InChI:InChI=1S/C36H46N4O2/c41-35(42)34(28-12-6-2-7-13-28)40-24-29(31(25-40)26-10-4-1-5-11-26)23-39-20-16-27(17-21-39)33-32(22-37-38-33)36(18-19-36)30-14-8-3-9-15-30/h1,3-5,8-11,14-15,22,27-29,31,34H,2,6-7,12-13,16-21,23-25H2,(H,37,38)(H,41,42)/t29-,31+,34+/m0/s1
SMILES:OC(=O)[C@H](N1C[C@@H]([C@H](C1)c1ccccc1)CN1CCC(CC1)c1[nH]ncc1C1(CC1)c1ccccc1)C1CCCCC1

Properties:
Formula:C36H46N4O2Atoms:42
Molecular Weight:566.776Rotatable Bonds:9
H-bond Acceptors:5H-bond Donors:2
logP:6.2939
Targets:
NameUniprot IDSourceReferencesInteraction
C-C chemokine receptor type 5CCR5_HUMANBindingDB-shows
Synonyms:
CHEBI:389644
CHEMBL172845