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Compound Detail

CHEMBL99423

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COc1cccc2c1NC(=O)Cc1c-2[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL99423
Phase Preclinical
Structure Type MOL
InChI Key ATOAEKSFKWKAIO-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.34
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O2
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.17

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
10425100 10.1021/jm9900570 Cyclin-dependent kinase 1 1
10425100 10.1021/jm9900570 HCT-116 1
10425100 10.1021/jm9900570 Tumor Cell line 1
14695817 10.1021/jm0308904 Cyclin-dependent kinase 1/cyclin B 1
14695817 10.1021/jm0308904 Cyclin-dependent kinase 5/CDK5 activator 1 1
14695817 10.1021/jm0308904 Glycogen synthase kinase-3 beta 1
19906467 10.1016/j.ejmech.2009.10.018 Cyclin-dependent kinase 1/cyclin B 1
19906467 10.1016/j.ejmech.2009.10.018 Glycogen synthase kinase-3 beta 1
19906467 10.1016/j.ejmech.2009.10.018 Malate dehydrogenase, mitochondrial 1

Data from ChEMBL 36 via Core Engine