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Compound Detail

CHEMBL1951272

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Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)nc1

Basic Information

ChEMBL ID CHEMBL1951272
Phase Preclinical
Structure Type MOL
InChI Key BOEMFNBZIJZNDQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.8
MW (Da)
1.89
ALogP
5
HBA
1
HBD
76.9
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 C11H13ClN4O2S
MW 300.77
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.59

Activity Summary

IC50 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3988596
IC50 4.77 4.77 17000.0 1
Unchecked
CHEMBL612545
IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22148754 10.1021/jm201091t Unchecked 1
22148754 10.1021/jm201091t Glycylpeptide N-tetradecanoyltransferase 1 1

Data from ChEMBL 36 via Core Engine