GPCRdb

aplaviroc

Agent/drug
Bioactivity

aplaviroc

SMILES	CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2
InChIKey	GWNOTCOIYUNTQP-FQLXRVMXSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	3
Rotatable bonds	10
Molecular weight (Da)	577.3

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank GPCRdb
Ligand site mutations	CCR5

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CCR5	CCR5	Human	Chemokine	A	pKi	8.50	8.50	8.50	Guide to Pharmacology
CCR5	CCR5	Human	Chemokine	A	pKd	8.52	8.52	8.52	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CCR5	CCR5	Mouse	Chemokine	A	pIC50	9.40	9.40	9.40	ChEMBL
CCR5	CCR5	Human	Chemokine	A	pIC50	5.25	7.46	8.25	ChEMBL
CCR5	CCR5	Rabbit	Chemokine	A	pIC50	4.52	4.52	4.52	ChEMBL
CXCR4	CXCR4	Human	Chemokine	A	pIC50	4.52	4.52	4.52	ChEMBL

Showing 1 to 4 of 4 entries

aplaviroc

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank GPCRdb
Ligand site mutations	CCR5

Compound is not listed as a drug.