CHEMBL494947


SMILES Clc1cccc(COc2cncc(N3CCNCC3)n2)c1
InChIKey PCWGGOVOEWHPMG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 304.1

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 5.84 5.84 5.84 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.16 7.16 7.16 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.78 5.78 5.78 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.53 6.53 6.53 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.69 5.69 5.69 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.25 6.25 6.25 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.35 6.35 6.35 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.07 6.07 6.07 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.03 8.27 9.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.13 5.13 5.13 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.55 6.55 6.55 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.98 7.05 7.09 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.02 6.02 6.02 ChEMBL
H1 HRH1 Human Histamine A pKi 5.84 5.84 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FPR3 FPR3 Human Formylpeptide A pIC50 5.29 5.29 5.29 ChEMBL
GPR183 GP183 Human Orphan A pIC50 5.25 5.25 5.25 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.36 5.36 5.36 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 7.18 7.18 7.18 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 8.09 8.72 9.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 6.85 6.99 7.12 ChEMBL