CHEMBL1766103


SMILES Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1
InChIKey GXGVWEMSSIKHOZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 432.2

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 5.24 5.24 5.24 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.54 6.54 6.54 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 10.6 10.6 10.6 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.78 5.78 5.78 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.55 5.55 5.55 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.66 5.66 5.66 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.38 6.38 6.38 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.46 5.46 5.46 ChEMBL
μ OPRM Human Opioid A pKi 5.25 5.25 5.25 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.07 6.07 6.07 ChEMBL
D5 DRD5 Human Dopamine A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR183 GP183 Human Orphan A pIC50 5.58 5.58 5.58 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.41 5.41 5.41 ChEMBL
FPR1 FPR1 Human Formylpeptide A pIC50 5.29 5.29 5.29 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 8.32 8.32 8.32 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pIC50 5.38 5.38 5.38 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 5.44 5.44 5.44 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 5.49 5.49 5.49 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.34 5.34 5.34 ChEMBL
apelin APJ Human Apelin A pIC50 5.47 5.47 5.47 ChEMBL