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Compound Detail

CHEMBL251282

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Nc1nccc(-c2cc3c(n2Cc2ccccc2)CCNC3=O)n1

Basic Information

ChEMBL ID CHEMBL251282
Phase Preclinical
Structure Type MOL
InChI Key CTTKPAKQUBTEOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
1.86
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.77
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 C18H17N5O
MW 319.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
IC50 6.54 6.54 290.0 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 = 290.0 nM 6.54 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