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

Drug Details

add
Name:CHEMBL1288877
PubChem ID:52943390
Pathway:-
InChI:InChI=1S/C41H48ClF2N5O5S/c1-5-18-49(39(51)54-28-30-11-9-29(27-45)10-12-30)33-13-19-47(20-14-33)21-15-41(31-7-6-8-32(43)24-31)16-22-48(23-17-41)38(50)34-25-37(36(44)26-35(34)42)55(52,53)46-40(2,3)4/h5-12,24-26,33,46H,1,13-23,28H2,2-4H3
SMILES:C=CCN(C(=O)OCc1ccc(cc1)C#N)C1CCN(CC1)CCC1(CCN(CC1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)c(cc1Cl)F)c1cccc(c1)F

Properties:
Formula:C41H48ClF2N5O5SAtoms:55
Molecular Weight:796.365Rotatable Bonds:16
H-bond Acceptors:10H-bond Donors:1
logP:8.76748
Targets:
NameUniprot IDSourceReferencesInteraction
C-C chemokine receptor type 5CCR5_HUMANBindingDB-shows
Synonyms:
CHEBI:815277
CHEMBL1288877