MELPERONE


SMILES CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChIKey DKMFBWQBDIGMHM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 263.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.24 6.24 6.24 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.68 5.82 5.9 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 6.64 6.64 6.64 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.7 6.7 6.7 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.54 6.77 6.99 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.28 7.04 8.44 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.0 6.33 6.86 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.82 4.91 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.62 5.62 5.62 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.36 5.36 5.36 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.65 5.66 5.66 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 PDSP Ki database
H1 HRH1 Human Histamine A pKi 6.24 6.24 6.24 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.8 7.45 8.31 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.24 6.24 6.24 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 4.82 4.82 4.82 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.27 8.27 8.27 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
D3 DRD3 Human Dopamine A pKi 8.15 8.15 8.15 Drug Central
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
H1 HRH1 Human Histamine A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database