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Compound Detail

CHEMBL2426207

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O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccncc2)cs1

Basic Information

ChEMBL ID CHEMBL2426207
Phase Preclinical
Structure Type MOL
InChI Key AHIJPMOBBZPOCG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
5.16
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10Cl2N4OS
MW 365.25
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.47

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RecQ-like DNA helicase BLM
CHEMBL1293237
IC50 4.55 4.55 28100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RecQ-like DNA helicase BLM IC50 = 28100.0 nM 4.55 Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay 24012121

Literature References

PubMed DOI Target Context # Activities
24012121 10.1016/j.bmcl.2013.08.025 RecQ-like DNA helicase BLM 1

Data from ChEMBL 36 via Core Engine