GPCRdb

CHEMBL3751951

Agent/drug
Bioactivity

CHEMBL3751951

SMILES	O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1
InChIKey	URMNVJYXANRVOF-WIJLQKJISA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	12
Molecular weight (Da)	458.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

EP₁	PE2R1	Human	Prostanoid	A	pKi	5.97	5.97	5.97	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

EP₂	PE2R2	Human	Prostanoid	A	pEC50	8.54	8.86	9.17	ChEMBL
EP₃	PE2R3	Human	Prostanoid	A	pEC50	8.00	8.57	9.15	ChEMBL
EP₄	PE2R4	Human	Prostanoid	A	pEC50	6.47	6.59	6.71	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL3751951

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.