L745870


SMILES Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2
InChIKey OGJGQVFWEPNYSB-UHFFFAOYSA-N

Chemical properties

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

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6IQL
Ligand site mutations D2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pKi 9.41 9.41 9.41 Guide to Pharmacology
D4 DRD4 Rat Dopamine A pKi 8.43 8.9 9.37 ChEMBL
D1 DRD1 Bovine Dopamine A pKi 5.0 5.0 5.0 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 5.21 5.21 5.21 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.64 6.64 6.64 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.65 9.22 9.4 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.66 5.66 5.66 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.77 6.77 6.77 ChEMBL
D3 DRD3 Human Dopamine A pKi 4.19 5.3 6.42 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.34 6.52 6.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.11 5.14 5.18 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.27 5.43 6.35 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.0 5.62 6.46 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.0 5.5 6.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.74 9.05 9.37 PDSP Ki database
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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL
D4 DRD4 Human Dopamine A pEC50 5.65 6.61 7.57 ChEMBL
D4 DRD4 Human Dopamine A pIC50 5.71 7.29 9.0 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.1 7.1 7.1 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.44 6.44 6.44 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.93 5.2 ChEMBL