MetaADEDB 2.0 @ LMMD
aplaviroc
(GWNOTCOIYUNTQP-FQLXRVMXSA-N)
Structure
SMILES
CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O
Type(s)
Investigational
Molecular Formula:
C33H43N3O6
Molecular Weight:
577.711
Log P:
4.7846
Hydrogen Bond Acceptor:
9
Hydrogen Bond Donor:
3
TPSA:
119.41
CAS Number(s):
461443-59-4
Synonym(s)
1.
aplaviroc
2.
4-((4-(((3R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undec-9-yl)methyl)phenyl)oxy)benzoic acid hydrochloride
3.
GW873140
4.
benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(55)undec-9-yl)methyl)phenoxy)-
External Link(s)
MeSHC499671
PubChem Compound3001322
BindingDB50336345
50398337
CHEMBLCHEMBL1255794
DrugBankDB06497
IUPHAR/BPS Guide to PHARMACOLOGY805
Therapeutic Target DatabaseD0G6SZ
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1HIV Infections15644495CTD
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