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Compound Detail

CHEMBL87527

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Oc1[nH]c2ccccc2c1/N=N/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87527
Phase Preclinical
Structure Type MOL
InChI Key QCBAMHXJXBGAQB-WUKNDPDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
4.29
ALogP
3
HBA
2
HBD
60.7
PSA (Ų)
0.64
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 C14H11N3O
MW 237.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
15115396 10.1021/jm0304358 Cyclin-dependent kinase 2 1
17088067 10.1016/j.bmc.2006.10.035 U-937 1
21144622 10.1016/j.ejmech.2010.11.015 Unchecked 1

Data from ChEMBL 36 via Core Engine