Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AV9K9X720D

Structure

InChI Key UDGASIIGNCBLSI-PMERELPUSA-N
Smile N#Cc1ccc(COc2ccc(C#Cc3ccc(C(F)(F)[C@](O)(Cn4cnnn4)c4ccc(F)cc4F)nc3)cc2)cc1
InChI
InChI=1S/C31H20F4N6O2/c32-25-10-13-27(28(33)15-25)30(42,19-41-20-38-39-40-41)31(34,35)29-14-9-23(17-37-29)4-1-21-7-11-26(12-8-21)43-18-24-5-2-22(16-36)3-6-24/h2-3,5-15,17,20,42H,18-19H2/t30-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H20F4N6O2
Molecular Weight 584.53
AlogP 4.88
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 109.74
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 43.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coccidioidomycosis 1 D003047 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594426
FDA SRS AV9K9X720D
PubChem 126715974
SureChEMBL SCHEMBL18663468