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Compound Detail

CHEMBL1488371

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O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccncc2)s1

Basic Information

ChEMBL ID CHEMBL1488371
Phase Preclinical
Structure Type MOL
InChI Key OIQSVOVTWPXCTN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
3.90
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.76
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 C14H10ClN5OS
MW 331.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.42

Activity Summary

IC50 2 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.68 5.68 2109.7 1
RecQ-like DNA helicase BLM
CHEMBL1293237
IC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24012121 10.1016/j.bmcl.2013.08.025 RecQ-like DNA helicase BLM 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine