LUMATEPERONE


SMILES CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12
InChIKey HOIIHACBCFLJET-SFTDATJTSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 393.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7WC8
Ligand site mutations 5-HT2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 7.51 7.51 7.51 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.5 7.5 7.5 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.76 6.76 6.76 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.27 9.27 9.27 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.83 5.83 5.83 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
D1 DRD1 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
D1 DRD1 Human Dopamine A pKi 7.28 7.28 7.28 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
D4 DRD4 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
D4 DRD4 Human Dopamine A pKi 6.97 6.97 6.97 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.12 8.12 8.12 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.15 8.71 9.27 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.39 8.44 8.49 ChEMBL