GPCRdb

CHEMBL4093489

Agent/drug
Bioactivity

CHEMBL4093489

SMILES	CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1
InChIKey	QDDQIPUKAXBMBX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	9
Molecular weight (Da)	435.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

S1P₁	S1PR1	Rat	Lysophospholipid (S1P)	A	pKi	9.11	9.11	9.11	ChEMBL
S1P₁	S1PR1	Human	Lysophospholipid (S1P)	A	pKi	9.20	9.20	9.20	ChEMBL
S1P₄	S1PR4	Human	Lysophospholipid (S1P)	A	pKi	7.54	7.54	7.54	ChEMBL
S1P₅	S1PR5	Human	Lysophospholipid (S1P)	A	pKi	9.24	9.24	9.24	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

S1P₁	S1PR1	Rat	Lysophospholipid (S1P)	A	pEC50	10.54	10.54	10.54	ChEMBL
S1P₁	S1PR1	Human	Lysophospholipid (S1P)	A	pEC50	9.00	10.04	10.57	ChEMBL
S1P₅	S1PR5	Human	Lysophospholipid (S1P)	A	pEC50	9.48	9.48	9.48	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4093489

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.