CHEMBL5431371


SMILES CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1
InChIKey DATRLTNBZWRBPI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 424.2

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
D5 DRD5 Human Dopamine A pKi 5.55 5.55 5.55 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.43 6.43 6.43 ChEMBL
H2 HRH2 Human Histamine A pKi 6.12 6.12 6.12 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.55 6.55 6.55 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.87 5.87 5.87 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.41 6.41 6.41 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.14 6.14 6.14 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.14 6.14 6.14 ChEMBL
κ OPRK Human Opioid A pKi 6.15 6.15 6.15 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.26 5.26 5.26 ChEMBL
H3 HRH3 Human Histamine A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database