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Compound Detail

CHEMBL380598

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O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380598
Phase Preclinical
Structure Type MOL
InChI Key HVQJGNALTWNDMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.74
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.71
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 C18H12N2O2
MW 288.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
16480264 10.1021/jm0580297 Cyclin-dependent kinase 2/cyclin E 2
16480264 10.1021/jm0580297 Cyclin-dependent kinase 1/cyclin B 2
16480264 10.1021/jm0580297 Cyclin-dependent kinase 4/cyclin D1 2
16480264 10.1021/jm0580297 CDK6/cyclin D1 2
16480264 10.1021/jm0580297 Protein kinase C alpha type 2
16480264 10.1021/jm0580297 Protein kinase C epsilon type 2
16480264 10.1021/jm0580297 Protein kinase C gamma type 2
16480264 10.1021/jm0580297 Protein kinase C iota type 2
16480264 10.1021/jm0580297 Epidermal growth factor receptor 2
16480264 10.1021/jm0580297 Receptor tyrosine-protein kinase erbB-2 2
16480264 10.1021/jm0580297 Angiopoietin-1 receptor 2
16480264 10.1021/jm0580297 Vascular endothelial growth factor receptor 2 2
16480264 10.1021/jm0580297 Gallus gallus 1
18334295 10.1016/j.bmcl.2008.02.058 Calcium/calmodulin-dependent protein kinase type II subunit delta 1

Data from ChEMBL 36 via Core Engine