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

CHEMBL1224760

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
Cn1cncc1/C=C1\CCC/C(=C\c2cncn2C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1224760
Phase Preclinical
Structure Type MOL
InChI Key BUJHLKYVYBLIEL-PWHKKFIBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.37
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O
MW 282.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20728364 10.1016/j.bmc.2010.07.063 Unchecked 1
20728364 10.1016/j.bmc.2010.07.063 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine