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

CHEMBL1802972

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
CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3cccc(Br)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1802972
Phase Preclinical
Structure Type MOL
InChI Key UQESBGWHJZQQAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
4.60
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16BrN5O
MW 422.29
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
21623630 10.1021/jm200464w PC-3 1
21623630 10.1021/jm200464w PA-1 1
21623630 10.1021/jm200464w MCF7 1
21623630 10.1021/jm200464w IMR-32 1
21623630 10.1021/jm200464w SH-SY5Y 1
21623630 10.1021/jm200464w HT-22 1
21623630 10.1021/jm200464w ADMET 1
21623630 10.1021/jm200464w Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
21623630 10.1021/jm200464w Dual specificity protein kinase CLK1 1
21623630 10.1021/jm200464w Glycogen synthase kinase-3 1
21623630 10.1021/jm200464w Unchecked 1
21623630 10.1021/jm200464w Cyclin-dependent kinase 5/CDK5 activator 1 1
21623630 10.1021/jm200464w DU-145 1

Data from ChEMBL 36 via Core Engine