GPCRdb

CHEMBL236587

Agent/drug
Bioactivity

CHEMBL236587

SMILES	CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC
InChIKey	WUXDFTYUVPKGCE-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	381.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.39	7.39	7.39	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.39	7.39	7.39	PDSP Ki database
H₁	HRH1	Human	Histamine	A	pKi	6.21	6.21	6.21	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	6.20	6.20	6.20	PDSP Ki database
SST2	SSR2	Human	Somatostatin	A	pKi	5.00	5.00	5.00	PDSP Ki database
SST3	SSR3	Human	Somatostatin	A	pKi	5.00	5.00	5.00	PDSP Ki database
SST4	SSR4	Human	Somatostatin	A	pKi	5.00	5.00	5.00	PDSP Ki database
SST5	SSR5	Human	Somatostatin	A	pKi	6.92	6.92	6.92	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

SST5	SSR5	Human	Somatostatin	A	pIC50	6.13	6.13	6.13	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL236587

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.