Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL485503

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COCCOc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485503
Phase Preclinical
Structure Type MOL
InChI Key UPIZQESQERKFHQ-WJDWOHSUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.3
MW (Da)
2.58
ALogP
6
HBA
3
HBD
96.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19BrN2O5
MW 447.29
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
19317452 10.1021/jm801026e Cyclin-dependent kinase 2 1
19317452 10.1021/jm801026e Cyclin-dependent kinase 1/cyclin B1 1
19317452 10.1021/jm801026e Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine