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Compound Detail

CHEMBL1463422

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CC(C)Nc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1

Basic Information

ChEMBL ID CHEMBL1463422
Phase Preclinical
Structure Type MOL
InChI Key LCTCUPLYBJWMPU-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
4.07
ALogP
7
HBA
1
HBD
81.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11ClN4O2S2
MW 330.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.59

Activity Summary

IC50 4 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.64 5.36 2280.0 2
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 5.58 5.58 2660.0 1
Calpain-2 catalytic subunit
CHEMBL4143
IC50 5.31 5.31 4907.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine