CHEMBL5400876


SMILES c1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1
InChIKey KZVXSSLUUGFVFR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 338.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.56 5.56 5.56 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.54 5.54 5.54 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.37 5.37 5.37 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.45 6.45 6.45 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.97 6.97 6.97 ChEMBL
H1 HRH1 Human Histamine A pKi 6.37 6.37 6.37 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.02 8.34 8.66 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.23 6.23 6.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.45 6.45 6.45 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.56 5.56 5.56 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.45 5.45 5.45 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.94 6.09 6.23 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.34 7.34 7.34 ChEMBL
μ OPRM Human Opioid A pKi 5.9 5.9 5.9 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.53 5.53 5.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 7.97 7.97 7.97 ChEMBL
D4 DRD4 Human Dopamine A pIC50 7.16 7.38 7.59 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.27 6.27 6.27 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.34 5.34 5.34 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.25 5.25 5.25 ChEMBL
D3 DRD3 Human Dopamine A pIC50 4.66 4.66 4.66 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.96 5.96 5.96 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.0 5.08 5.17 ChEMBL