CHEMBL5395401


SMILES CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(Cl)c3cccnc23)cn1
InChIKey KRUQRZWHJYOOJH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 440.2

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-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.93 5.93 5.93 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.81 5.81 5.81 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.95 5.95 5.95 ChEMBL
H2 HRH2 Human Histamine A pKi 4.04 4.04 4.04 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.2 5.2 5.2 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.56 5.56 5.56 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.66 6.66 6.66 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.84 5.84 5.84 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.37 6.37 6.37 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.17 6.17 6.17 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.33 6.33 6.33 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.38 5.38 5.38 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.2 6.2 6.2 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
κ OPRK Human Opioid A pKi 5.96 5.96 5.96 ChEMBL
H3 HRH3 Human Histamine A pKi 5.93 5.93 5.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database