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Compound Detail

CHEMBL1402653

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Clc1ccc(CSc2[nH]cnc3ncnc2-3)cc1

Basic Information

ChEMBL ID CHEMBL1402653
Phase Preclinical
Structure Type MOL
InChI Key FOOOURJUHZNGIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.8
MW (Da)
3.25
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.59
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 C12H9ClN4S
MW 276.75
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
CHEMBL2111377
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28933546 10.1021/acs.jmedchem.7b01066 Unchecked 1
33139113 10.1016/j.ejmech.2020.112968 CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) 1
33139113 10.1016/j.ejmech.2020.112968 Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine