Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VT3A7NA96K

Structure

InChI Key VKCPFWKTFZAOTO-LEWJYISDSA-N
Smile N#Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(F)(F)F)[C@@H]2c2cccnc2)ccc1F
InChI
InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H16F4N4O2
Molecular Weight 468.41
AlogP 4.57
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 86.09
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4207489
DrugBank DB12659
FDA SRS VT3A7NA96K
Guide to Pharmacology 9723
PubChem 89508529
SureChEMBL SCHEMBL14871903