A77636


SMILES NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3
InChIKey QLJOSZATCBCBDR-DFKUFRTHSA-N

Chemical properties

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

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7CKX

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
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
α2A ADA2A Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.68 7.85 8.03 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.38 5.38 5.38 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.81 5.81 5.81 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
D1 DRD1 Pig Dopamine A pKi 8.41 8.41 8.41 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pEC50 8.29 8.29 8.29 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.5 5.5 5.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 6.54 6.54 6.54 ChEMBL
D1 DRD1 Human Dopamine A pEC50 8.52 8.52 8.52 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL
D1 DRD1 Goldfish Dopamine A pEC50 8.09 8.09 8.09 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.45 5.45 5.45 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.78 5.78 5.78 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 5.5 5.5 5.5 ChEMBL
apelin APJ Human Apelin A pIC50 5.56 5.56 5.56 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
CX3CR1 CX3C1 Human Chemokine A pIC50 5.8 5.8 5.8 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pIC50 5.73 5.73 5.73 ChEMBL
GPR183 GP183 Human Orphan A pIC50 5.5 5.5 5.5 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pIC50 5.84 5.84 5.84 ChEMBL
ADGRF1 AGRF1 Human ADGRF B2 pIC50 5.58 5.58 5.58 ChEMBL