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Compound Detail

CHEMBL2062937

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CN(C)[C@H]1CC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2062937
Phase Preclinical
Structure Type MOL
InChI Key XUFLBSMTYMFOQH-JOCQHMNTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.9
MW (Da)
3.96
ALogP
5
HBA
2
HBD
69.7
PSA (Ų)
0.68
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 C19H23ClN6
MW 370.89
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Activity Summary

Ki 1 meas. best 9.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 Ki 9.5 9.5 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase Ki = 0.3162 nM 9.5 Inhibition of CDC7 24900482

Literature References

PubMed DOI Target Context # Activities
24900482 10.1021/ml300012r Cell division cycle 7-related protein kinase 1
24900482 10.1021/ml300012r Cyclin-dependent kinase 1 1

Data from ChEMBL 36 via Core Engine