Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key HJFSVYUFOXAVAA-YUAYGMJFSA-N
Smile CCCNc1nc(Nc2ccc(C#N)cc2)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C
InChI
InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38N8O2
Molecular Weight 530.68
AlogP 3.13
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 126.28
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase receptor FLT3 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650283