GPCRdb

LUMATEPERONE

Agent/drug
Bioactivity

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

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem DrugBank PubChem GPCRdb
Structure pdb	7WC8
Ligand site mutations	5-HT_2A

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	7.14	7.14	7.14	ChEMBL
α_1A	ADA1A	Human	Adrenoceptors	A	pKi	8.15	8.15	8.15	Drug Central
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	7.51	7.51	7.51	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.12	8.12	8.12	Drug Central
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.83	5.83	5.83	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.23	8.23	8.23	Drug Central
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	9.27	9.27	9.27	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.03	8.03	8.03	Drug Central
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.76	6.76	6.76	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	8.17	8.17	8.17	Drug Central
D₁	DRD1	Human	Dopamine	A	pKi	7.28	7.28	7.28	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	8.13	8.13	8.13	Drug Central
D₂	DRD2	Rat	Dopamine	A	pKi	7.50	7.50	7.50	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.13	8.13	8.13	Drug Central
D₂	DRD2	Rat	Dopamine	A	pKi	8.12	8.12	8.12	Drug Central
D₄	DRD4	Human	Dopamine	A	pKi	6.97	6.97	6.97	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.16	8.16	8.16	Drug Central

Showing 1 to 17 of 17 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2A	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

Showing 1 to 2 of 2 entries

LUMATEPERONE

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 2

Phase II 2

Phase III 2

Phase IV 7

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem DrugBank PubChem GPCRdb
Structure pdb	7WC8
Ligand site mutations	5-HT_2A

Sankey plot

Drug Information

Search:

Target					Disease

Gene	Protein	Receptor family	Ligand type	Class	Name	Phase	ICD11	ATC	Association score

5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Alzheimer disease	1	8A20		0.409
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Bipolar type I disorder, unspecified	4	6A60.Z		0.609
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Personality disorder, severity unspecified	2	6D10.Z		0.507
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Schizophrenia or other primary psychotic disorders, unspecified	4	6A2Z		0.609
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Schizophrenia, episode unspecified	4	6A20.Z		0.620
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Single episode depressive disorder, severe, without psychotic symptoms	3	6A70.3		0.632
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	A	Alzheimer disease	1	8A20		0.408
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	A	Bipolar type I disorder, unspecified	4	6A60.Z		0.660
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	A	Personality disorder, severity unspecified	2	6D10.Z		0.510
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	A	Schizophrenia or other primary psychotic disorders, unspecified	4	6A2Z		0.615
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	A	Schizophrenia, episode unspecified	4	6A20.Z		0.732
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	A	Single episode depressive disorder, severe, without psychotic symptoms	3	6A70.3		0.703

Showing 1 to 12 of 12 entries