Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3QBL0BLP3D

Structure

InChI Key CMSUJGUHYXQSOK-UHFFFAOYSA-N
Smile Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InChI
InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H23N5O2
Molecular Weight 437.5
AlogP 4.79
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 100.72
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3982690
DrugBank DB14970
FDA SRS 3QBL0BLP3D
PubChem 86281210
SureChEMBL SCHEMBL16225351