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 |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.28 | 7.28 | 7.28 | 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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
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 |
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 |