GPCRdb

CHEMBL426387

Agent/drug
Bioactivity

CHEMBL426387

SMILES	O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
InChIKey	XSQAICBCYIFUQS-GFCCVEGCSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	435.0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

DP₁	PD2R	Human	Prostanoid	A	pKi	8.82	8.82	8.82	ChEMBL
EP₁	PE2R1	Human	Prostanoid	A	pKi	5.36	5.36	5.36	ChEMBL
EP₂	PE2R2	Human	Prostanoid	A	pKi	6.39	6.39	6.39	ChEMBL
EP₃	PE2R3	Human	Prostanoid	A	pKi	6.33	6.33	6.33	ChEMBL
EP₄	PE2R4	Human	Prostanoid	A	pKi	5.36	5.36	5.36	ChEMBL
FP	PF2R	Human	Prostanoid	A	pKi	4.85	4.85	4.85	ChEMBL
IP	PI2R	Human	Prostanoid	A	pKi	6.40	6.40	6.40	ChEMBL
TP	TA2R	Human	Prostanoid	A	pKi	9.08	9.08	9.08	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

DP₁	PD2R	Human	Prostanoid	A	pIC50	7.64	8.62	9.59	ChEMBL
TP	TA2R	Human	Prostanoid	A	pIC50	7.10	7.10	7.10	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL426387

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.