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Compound Detail

CHEMBL251283

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CCCNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1

Basic Information

ChEMBL ID CHEMBL251283
Phase Preclinical
Structure Type MOL
InChI Key DIDPHYKBWXCRNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
1.58
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.79
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 C14H17N5O
MW 271.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
IC50 6.59 6.59 259.0 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 = 259.0 nM 6.59 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