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Compound Detail

CHEMBL1237021

LURASIDONE
💊 Approved Drug
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💊 Approved Drug
O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1237021
Name LURASIDONE
Phase Approved
Structure Type MOL
InChI Key PQXKDMSYBGKCJA-CVTJIBDQSA-N
Therapeutic ✓ Yes

Known Names

Lurasidona Lurasidone SM-13496 FREE BASE
7
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
8
Indications

Molecular Properties

492.7
MW (Da)
4.26
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2010
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Black Box Warning Natural Product
USAN Stem -sidone
USAN Year 2005

Extended Properties

Molecular Formula C28H36N4O2S
MW 492.69
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.78

Indications

Autistic Disorder Bipolar Disorder Bipolar Disorder Depressive Disorder Depressive Disorder, Major Psychotic Disorders Psychotic Disorders Schizophrenia

ATC Classification

N05AE05
lurasidone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

Ki 8 meas. best 9.3
IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 9.3 9.3 0.5 2
D(2) dopamine receptor
CHEMBL339
 Ki 8.78 8.78 1.7 1
D(2) dopamine receptor
CHEMBL217
 Ki 8.77 8.77 1.7 1
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 8.7 8.7 2.0 1
5-hydroxytryptamine receptor 2A
CHEMBL322
 Ki 8.69 8.69 2.0 1
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 8.17 8.17 6.7 1
5-hydroxytryptamine receptor 1A
CHEMBL273
 Ki 8.17 8.17 6.8 1
5-hydroxytryptamine receptor 7
CHEMBL3155
 IC50 7.8 7.8 15.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 0.5 nM 9.3 Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells inc... 31586817
5-hydroxytryptamine receptor 7 Ki = 0.5 nM 9.3 Displacement of [3H]-5-CT from human recombinant 5HT7b receptor measured after 2... 32247749
D(2) dopamine receptor Ki = 1.68 nM 8.78 Displacement of [3H]-spiperone from D2 receptor in rat striatum measured after 1... 32247749
D(2) dopamine receptor Ki = 1.7 nM 8.77 Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell... 31586817
5-hydroxytryptamine receptor 2A Ki = 2.0 nM 8.7 Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cort... 31586817
5-hydroxytryptamine receptor 2A Ki = 2.03 nM 8.69 Displacement of [3H]-ketanserin from 5HT2A receptor in rat cortex measured after... 32247749
5-hydroxytryptamine receptor 1A Ki = 6.7 nM 8.17 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cel... 31586817
5-hydroxytryptamine receptor 1A Ki = 6.75 nM 8.17 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampus measured af... 32247749
5-hydroxytryptamine receptor 7 IC50 = 15.72 nM 7.8 Antagonist activity at human 5-HT7A receptor expressed in HEK cell membranes ass... 33582388

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 4
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 3
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 3
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
33582388 10.1016/j.ejmech.2021.113243 5-hydroxytryptamine receptor 7 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 2
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 2
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 2

Data from ChEMBL 36 via Core Engine