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

Drug Details

add
Name:CHEMBL1222773
PubChem ID:49864975
Pathway:-
InChI:InChI=1S/C37H50FN5O5S/c1-4-18-42(36(45)39-22-26-12-16-34(17-13-26)49(47,48)40(2)3)33-20-31-14-15-32(21-33)43(31)24-29-23-41(35(44)27-8-5-6-9-27)25-37(29,46)28-10-7-11-30(38)19-28/h4,7,10-13,16-17,19,27,29,31-33,46H,1,5-6,8-9,14-15,18,20-25H2,2-3H3,(H,39,45)/t29-,31?,32?,33?,37+/m1/s1
SMILES:C=CCN(C(=O)NCc1ccc(cc1)S(=O)(=O)N(C)C)C1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C[C@]1(O)c1cccc(c1)F)C(=O)C1CCCC1

Properties:
Formula:C37H50FN5O5SAtoms:49
Molecular Weight:695.887Rotatable Bonds:14
H-bond Acceptors:10H-bond Donors:2
logP:5.6529
Targets:
NameUniprot IDSourceReferencesInteraction
C-C chemokine receptor type 5CCR5_HUMANBindingDB-shows
Synonyms:
CHEBI:789213
CHEMBL1222773