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Compound Detail

CHEMBL250692

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O=C1NCCc2oc(-c3ccncc3)cc21

Basic Information

ChEMBL ID CHEMBL250692
Phase Preclinical
Structure Type MOL
InChI Key KWWOJRSKUDOFSA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
1.63
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O2
MW 214.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
IC50 6.7 6.7 201.0 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 = 201.0 nM 6.7 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