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Compound Detail

CHEMBL4297590

DARIDOREXANT
💊 Approved Drug
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💊 Approved Drug
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297590
Name DARIDOREXANT
Phase Approved
Structure Type MOL
InChI Key NBGABHGMJVIVBW-QHCPKHFHSA-N
Therapeutic ✓ Yes

Known Names

Act-541468 Daridorexant DEA NO. 2410 Nemorexant
2
Targets
8
Activities
2
Assay Types
1
PK Parameters
5
Publications
4
Known Names
6
Indications
1
Mechanisms

Molecular Properties

450.9
MW (Da)
4.27
ALogP
6
HBA
1
HBD
88.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2022
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Year 2020

Extended Properties

Molecular Formula C23H23ClN6O2
MW 450.93
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.86

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Orexin receptor antagonist ANTAGONIST Orexin receptor ✓ ✓

Indications

Sleep Initiation and Maintenance Disorders Stress Disorders, Post-Traumatic Liver Diseases Pulmonary Disease, Chronic Obstructive Renal Insufficiency Sleep Apnea, Obstructive

ATC Classification

N05CJ03
daridorexant
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

IC50 6 meas. best 8.96
Ki 2 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Orexin/Hypocretin receptor type 1
CHEMBL5113
 IC50 8.96 8.7867 1.1 3
Orexin receptor type 2
CHEMBL4792
 Ki 8.9 8.9 1.3 1
Orexin/Hypocretin receptor type 1
CHEMBL5113
 Ki 8.8 8.8 1.6 1
Orexin receptor type 2
CHEMBL4792
 IC50 8.77 8.6033 1.7 3

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Orexin/Hypocretin receptor type 1 IC50 = 1.1 nM 8.96 Inhibition of OX1R (unknown origin) 39137454
Orexin receptor type 2 Ki = 1.259 nM 8.9 Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-y... 31860301
Orexin/Hypocretin receptor type 1 Ki = 1.585 nM 8.8 Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-y... 31860301
Orexin receptor type 2 IC50 = 1.7 nM 8.77 Inhibition of OX2R (unknown origin) 39137454
Orexin/Hypocretin receptor type 1 IC50 = 2.0 nM 8.7 Inhibition Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-... -
Orexin/Hypocretin receptor type 1 IC50 = 2.0 nM 8.7 In Vitro Assay: Human orexin-A as an agonist is prepared as 1 mM stock solution ... -
Orexin receptor type 2 IC50 = 3.0 nM 8.52 Inhibition Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-... -
Orexin receptor type 2 IC50 = 3.0 nM 8.52 In Vitro Assay: Human orexin-A as an agonist is prepared as 1 mM stock solution ... -

Literature References

PubMed DOI Target Context # Activities
39137454 10.1016/j.ejmech.2024.116759 Orexin/Hypocretin receptor type 1 2
39137454 10.1016/j.ejmech.2024.116759 Orexin receptor type 2 2
31860301 10.1021/acs.jmedchem.9b01787 Orexin/Hypocretin receptor type 1 1
31860301 10.1021/acs.jmedchem.9b01787 Orexin receptor type 2 1
32482533 10.1016/j.bmc.2020.115489 ADMET 1

Data from ChEMBL 36 via Core Engine