GPCRdb

A77636

Agent/drug
Bioactivity

A77636

SMILES	NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O
InChIKey	QLJOSZATCBCBDR-DFKUFRTHSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	3
Rotatable bonds	2
Molecular weight (Da)	329.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	7CKX

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.38	5.38	5.38	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.05	6.05	6.05	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.05	6.05	6.05	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.14	7.14	7.14	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	8.74	8.74	8.74	Guide to Pharmacology
D₁	DRD1	Rat	Dopamine	A	pKi	7.52	7.52	7.52	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	7.68	7.85	8.03	ChEMBL
D₁	DRD1	Pig	Dopamine	A	pKi	8.41	8.41	8.41	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.81	5.81	5.81	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	5.75	5.75	5.75	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.26	6.26	6.26	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.25	6.25	6.25	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	8.52	8.52	8.52	ChEMBL

Showing 1 to 13 of 13 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pEC50	6.54	6.54	6.54	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pIC50	5.78	5.78	5.78	ChEMBL
ADGRF1	AGRF1	Human	ADGRF	B2	pIC50	5.58	5.58	5.58	ChEMBL
apelin	APJ	Human	Apelin	A	pIC50	5.56	5.56	5.56	ChEMBL
AT₁	AGTR1	Human	Angiotensin	A	pIC50	5.50	5.50	5.50	ChEMBL
CX₃CR1	CX3C1	Human	Chemokine	A	pIC50	5.80	5.80	5.80	ChEMBL
D₁	DRD1	Goldfish	Dopamine	A	pEC50	8.09	8.09	8.09	ChEMBL
D₁	DRD1	Rat	Dopamine	A	pEC50	8.29	8.29	8.29	ChEMBL
D₁	DRD1	Human	Dopamine	A	pEC50	8.52	8.52	8.52	ChEMBL
FPR1	FPR1	Human	Formylpeptide	A	pIC50	4.66	4.66	4.66	ChEMBL
FPR3	FPR3	Human	Formylpeptide	A	pIC50	5.51	5.51	5.51	ChEMBL
GLP-1	GLP1R	Human	Glucagon	B1	pIC50	5.84	5.84	5.84	ChEMBL
GPR119	GP119	Human	GPR18, GPR55 and GPR119	A	pIC50	5.73	5.73	5.73	ChEMBL
GPR183	GP183	Human	A orphans	A	pIC50	5.50	5.50	5.50	ChEMBL
GPR35	GPR35	Human	A orphans	A	pIC50	5.50	5.50	5.50	ChEMBL
GPR65	PSYR	Human	A orphans	A	pIC50	5.84	5.84	5.84	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	5.45	5.45	5.45	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	4.50	4.50	4.50	ChEMBL

Showing 1 to 18 of 18 entries

A77636

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

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	7CKX

Compound is not listed as a drug.