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Compound Detail

CHEMBL251247

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CCCCn1c(-c2ccnc(N)n2)cc2c1CCNC2=O

Basic Information

ChEMBL ID CHEMBL251247
Phase Preclinical
Structure Type MOL
InChI Key WVSCBSTWYVXQCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
1.61
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.89
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 C15H19N5O
MW 285.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase IC50 = 23.0 nM 7.64 Inhibition of human Cdc7 18201066

Literature References

PubMed DOI Target Context # Activities
18201066 10.1021/jm700956r Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine