daridorexant   Click here for help

GtoPdb Ligand ID: 11648

Synonyms: ACT-541468 | ACT541468 | nemorexant (former name) | Quviviq®
Approved drug PDB Ligand
daridorexant is an approved drug (FDA & EMA (2022))
Compound class: Synthetic organic
Comment: Daridorexant (ACT-541468) is a dual orexin receptor antagonist [4-5]. It was designed and developed for potential to treat insomnia [1-3,7-8].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 88.41
Molecular weight 450.16
XLogP 4.57
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c([nH]1)ccc(c2C)Cl)n1nccn1
Isomeric SMILES Cc1c(ccc2c1nc([nH]2)[C@@]1(CCCN1C(=O)c1c(ccc(c1)OC)n1nccn1)C)Cl
InChI InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA & EMA (2022))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10679 daridorexant
Synonyms Click here for help
ACT-541468 | ACT541468 | nemorexant (former name) | Quviviq®
Database Links Click here for help
Specialist databases
GPCRdb Ligand daridorexant
Other databases
BindingDB Ligand 334973
CAS Registry No. 1505484-82-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL4297590
DrugBank Ligand DB15031
GtoPdb PubChem SID 442878674
PubChem CID 91801202
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UniChem Compound Search for chemical match using the InChIKey NBGABHGMJVIVBW-QHCPKHFHSA-N
UniChem Connectivity Search for chemical match using the InChIKey NBGABHGMJVIVBW-QHCPKHFHSA-N