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Compound Detail

CHEMBL2322681

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Cc1cc(-c2c[nH]c3ncccc23)cc(N[C@H]2CC[C@H](O)CC2)n1

Basic Information

ChEMBL ID CHEMBL2322681
Phase Preclinical
Structure Type MOL
InChI Key LREADVAQGARKQU-SHTZXODSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.65
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900653 10.1021/ml300348c Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine