SB-649868

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1L1V1K2M4V

Structure
InChI Key ZJXIUGNEAIHSBI-IBGZPJMESA-N
Smile Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1
InChI
InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24FN3O3S
Molecular Weight 477.56
AlogP 5.43
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 75.44
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Orexin receptor 1 antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Orexin receptor
- - - 0-9 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sleep Initiation and Maintenance Disorders 2 D007319 ClinicalTrials
Sleep Wake Disorders 1 D012893 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 380899-24-1
ChEMBL CHEMBL1272307
DrugBank DB14822
EPA CompTox DTXSID90191491
FDA SRS 1L1V1K2M4V
Guide to Pharmacology 4461
PubChem 25195495
SureChEMBL SCHEMBL8045969
CONTENTS