Structure

InChI Key IEAKXXNRGSLYTQ-DEOSSOPVSA-N
Smile C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1
InChI
InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28ClFN2OS
Molecular Weight 483.05
AlogP 7.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 25.36
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Corticotropin releasing factor receptor 1 antagonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Adrenal Hyperplasia, Congenital 3 D000312 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34969
ChEMBL CHEMBL291657
FDA SRS MFT24BX55I
Guide to Pharmacology 3533
KEGG C14129
SureChEMBL SCHEMBL5453205
ZINC ZINC000001550164