Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9T56TV18X7

Structure

InChI Key MRFOPLWJZULAQD-SWGQDTFXSA-N
Smile Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4ccc(F)cc4)c3o2)cn1
InChI
InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H29F3N4O3
Molecular Weight 610.64
AlogP 7.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 101.46
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 45.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297467
FDA SRS 9T56TV18X7
Guide to Pharmacology 10593
PDB 96Q
PubChem 117779453
SureChEMBL SCHEMBL16345416
ZINC ZINC000253387914