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Compound Detail

CHEMBL193622

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CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193622
Phase Preclinical
Structure Type MOL
InChI Key XXLVWAXFJXMBMJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
3.03
ALogP
2
HBA
2
HBD
57.8
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 C15H17N3O
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2/cyclin A
CHEMBL2094128
 IC50 6.77 6.77 169.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 2/cyclin A IC50 = 169.0 nM 6.77 Inhibition of cyclin dependent kinase 2-cyclin A 15828833

Literature References

PubMed DOI Target Context # Activities
15828833 10.1021/jm0408870 Cyclin-dependent kinase 2/cyclin A 1

Data from ChEMBL 36 via Core Engine