Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0282IF4JC8

Structure

InChI Key AGBSXNCBIWWLHD-FQEVSTJZSA-N
Smile COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
InChI
InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24Cl2N6O4
Molecular Weight 555.42
AlogP 4.69
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 104.37
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other nuclear protein
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Liposarcoma 1 D008080 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3653256
DrugBank DB16331
FDA SRS 0282IF4JC8
PDB 9QW
PubChem 71678098
SureChEMBL SCHEMBL15142060