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Compound Detail

CHEMBL2322675

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

Basic Information

ChEMBL ID CHEMBL2322675
Phase Preclinical
Structure Type MOL
InChI Key SQJXCRCSAJZPMM-CTYIDZIISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.21
ALogP
5
HBA
3
HBD
97.6
PSA (Ų)
0.68
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 C19H19N5O
MW 333.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.26 8.26 5.5 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