Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I8C3R768IZ

Structure

InChI Key SLIVDYMORZGPLW-UHFFFAOYSA-N
Smile Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2ccccn12
InChI
InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H27F3N6O
Molecular Weight 532.57
AlogP 4.46
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 65.77
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 39.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1416241-23-0
ChEMBL CHEMBL4297478
DrugBank DB15396
FDA SRS I8C3R768IZ
Guide to Pharmacology 9792
PubChem 71475839
SureChEMBL SCHEMBL15789568