EMICERFONT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OJ8EG4264P

Structure
InChI Key JFHJGXQFESYQGY-UHFFFAOYSA-N
Smile COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1
InChI
InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N6O2
Molecular Weight 404.47
AlogP 3.12
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 75.52
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Corticotropin releasing factor receptor 1 antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Corticotropin releasing factor receptor Corticotropin releasing factor receptor
- 66 72 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 2 D043183 ClinicalTrials
Phobia, Social 2 D000072861 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL514270
DrugBank DB12910
EPA CompTox DTXSID20229231
FDA SRS OJ8EG4264P
PubChem 11223423
SureChEMBL SCHEMBL2189548
ZINC ZINC000006716350
CONTENTS