GPCRdb

CHEMBL2413154

Agent/drug
Bioactivity

CHEMBL2413154

SMILES	COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
InChIKey	MEKSQRMXWZHFIP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	373.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	8.17	8.17	8.17	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	7.02	7.02	7.02	ChEMBL
α_2A	ADA2A	Bovine	Adrenoceptors	A	pKi	7.02	7.02	7.02	PDSP Ki database
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.62	6.62	6.62	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.82	7.82	7.82	ChEMBL
α_2C	A0A3Q1LQ48	Bovine	Adrenoceptors	A	pKi	7.81	7.81	7.81	PDSP Ki database
β₂	ADRB2	Bovine	Adrenoceptors	A	pKi	5.00	5.00	5.00	PDSP Ki database
δ	F1N083	Bovine	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database
κ	OPRK	Bovine	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database
μ	OPRM	Bovine	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	9.82	9.82	9.82	ChEMBL
5-HT_1A	F6Q2H9	Bovine	5-Hydroxytryptamine	A	pKi	9.82	9.82	9.82	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.19	6.19	6.19	ChEMBL
5-HT_1B	F1MGM3	Bovine	5-Hydroxytryptamine	A	pKi	6.19	6.19	6.19	PDSP Ki database
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.05	7.05	7.05	ChEMBL
5-HT_1D	F1MMU1	Bovine	5-Hydroxytryptamine	A	pKi	7.05	7.05	7.05	PDSP Ki database
5-HT_1E	F1MB93	Bovine	5-Hydroxytryptamine	A	pKi	5.00	5.00	5.00	PDSP Ki database
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.30	5.30	5.30	ChEMBL
5-HT_2A	5HT2A	Bovine	5-Hydroxytryptamine	A	pKi	5.30	5.30	5.30	PDSP Ki database
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.13	7.13	7.13	ChEMBL

Showing 1 to 20 of 44 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	10.00	10.00	10.00	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL2413154

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

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.