NEPICASTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VPG12K4540

Structure
InChI Key YZZVIKDAOTXDEB-JTQLQIEISA-N
Smile NCc1cnc(S)n1[C@H]1CCc2c(F)cc(F)cc2C1
InChI
InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15F2N3S
Molecular Weight 295.36
AlogP 2.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 43.84
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 173997-05-2
ChEBI 139334
ChEMBL CHEMBL1188395
DrugBank DB12979
EPA CompTox DTXSID80169740
FDA SRS VPG12K4540
Guide to Pharmacology 6630
PubChem 9796181
SureChEMBL SCHEMBL662220
ZINC ZINC000003936852
CONTENTS