GproteinDb

L745870

Agent/drug
Bioactivity

L745870

SMILES	Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1
InChIKey	OGJGQVFWEPNYSB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	326.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	6IQL
Ligand site mutations	D₂

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	5.66	5.66	5.66	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.54	5.54	5.54	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.77	6.77	6.77	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.80	6.80	6.80	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.64	6.64	6.64	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.11	5.14	5.18	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.34	6.52	6.70	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	5.78	5.78	5.78	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.64	6.64	6.64	ChEMBL
D₁	DRD1	Bovine	Dopamine	A	pKi	5.00	5.00	5.00	ChEMBL
D₂	DRD2	Bovine	Dopamine	A	pKi	5.21	5.21	5.21	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	4.27	5.43	6.35	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.00	5.62	6.46	PDSP Ki database
D₃	DRD3	Human	Dopamine	A	pKi	4.19	5.30	6.42	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.00	5.50	6.00	PDSP Ki database
D₄	DRD4	Human	Dopamine	A	pKi	9.41	9.41	9.41	Guide to Pharmacology
D₄	DRD4	Rat	Dopamine	A	pKi	8.43	8.90	9.37	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.65	9.22	9.40	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.74	9.05	9.37	PDSP Ki database

Showing 1 to 19 of 19 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pIC50	6.44	6.44	6.44	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.10	7.10	7.10	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	5.65	6.61	7.57	ChEMBL
D₄	DRD4	Human	Dopamine	A	pIC50	5.71	7.29	9.00	ChEMBL
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	Potency	4.75	4.75	4.75	ChEMBL
TSH	TSHR	Human	Glycoprotein hormone	A	Potency	4.40	4.93	5.20	ChEMBL

Showing 1 to 6 of 6 entries

L745870

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

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	6IQL
Ligand site mutations	D₂

Compound is not listed as a drug.