Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL1288910
PubChem ID:52944086
Pathway:-
InChI:InChI=1S/C40H49ClF3N5O4S/c1-5-18-49(38(51)45-27-28-9-11-30(42)12-10-28)32-13-19-47(20-14-32)21-15-40(29-7-6-8-31(43)24-29)16-22-48(23-17-40)37(50)33-25-36(35(44)26-34(33)41)54(52,53)46-39(2,3)4/h5-12,24-26,32,46H,1,13-23,27H2,2-4H3,(H,45,51)
SMILES:C=CCN(C(=O)NCc1ccc(cc1)F)C1CCN(CC1)CCC1(CCN(CC1)C(=O)c1cc(c(cc1Cl)F)S(=O)(=O)NC(C)(C)C)c1cccc(c1)F

Properties:
Formula:C40H49ClF3N5O4SAtoms:54
Molecular Weight:788.361Rotatable Bonds:16
H-bond Acceptors:9H-bond Donors:2
logP:8.9988
Targets:
NameUniprot IDSourceReferencesInteraction
C-C chemokine receptor type 5CCR5_HUMANBindingDB-shows
Synonyms:
CHEBI:815311
CHEMBL1288910