GPCRdb

CHEMBL494947

Agent/drug
Bioactivity

CHEMBL494947

SMILES	Clc1cccc(COc2cncc(N3CCNCC3)n2)c1
InChIKey	PCWGGOVOEWHPMG-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	304.1

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

β₁	ADRB1	Human	Adrenoceptors	A	pKi	5.69	5.69	5.69	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.13	5.13	5.13	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.78	5.78	5.78	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.16	7.16	7.16	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.84	5.84	5.84	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.98	7.05	7.09	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.00	8.00	8.00	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	8.03	8.27	9.00	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.25	6.25	6.25	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.55	6.55	6.55	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.84	5.84	5.84	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	6.02	6.02	6.02	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	6.07	6.07	6.07	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	6.35	6.35	6.35	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	6.53	6.53	6.53	ChEMBL

Showing 1 to 15 of 15 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pEC50	6.85	6.99	7.12	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pEC50	7.18	7.18	7.18	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pEC50	8.09	8.72	9.96	ChEMBL
FPR3	FPR3	Human	Formylpeptide	A	pIC50	5.29	5.29	5.29	ChEMBL
GPR183	GP183	Human	A orphans	A	pIC50	5.25	5.25	5.25	ChEMBL
GPR35	GPR35	Human	A orphans	A	pIC50	5.36	5.36	5.36	ChEMBL

Showing 1 to 6 of 6 entries

CHEMBL494947

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.