Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CY416F5NSK

Structure

InChI Key ZPJGUEPHFXPAQF-UHFFFAOYSA-N
Smile c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChI
InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21N7
Molecular Weight 395.47
AlogP 3.32
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 70.93
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brain Injuries 1 D001930 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297448
DrugBank DB12899
EPA CompTox DTXSID50712308
FDA SRS CY416F5NSK
PubChem 54576073
SureChEMBL SCHEMBL529969