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Compound Detail

CHEMBL1356350

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CC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1

Basic Information

ChEMBL ID CHEMBL1356350
Phase Preclinical
Structure Type MOL
InChI Key DMMXXRSIPNMYTQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
2.27
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.88
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 C17H23N3O3S
MW 349.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.97

Activity Summary

EC50 2 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.52 4.52 30065.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.48 4.48 33351.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24583350 10.1016/j.ejmech.2014.02.028 Mycobacterium tuberculosis 2
24583350 10.1016/j.ejmech.2014.02.028 RAW264.7 1

Data from ChEMBL 36 via Core Engine