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Compound Detail

CHEMBL202135

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COc1ccc(C2=C(c3ccccc3)C(=O)NC2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202135
Phase Preclinical
Structure Type MOL
InChI Key IDOQJBCQIOKYHU-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.27
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4
MW 309.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.02

Activity Summary

IC50 2 meas.

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
20004572 10.1016/j.bmcl.2009.11.067 RAW264.7 2
16480264 10.1021/jm0580297 Tubulin 1
16480264 10.1021/jm0580297 Gallus gallus 1

Data from ChEMBL 36 via Core Engine