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Compound Detail

CHEMBL1505528

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O=C(NN=C/C=C\c1ccco1)c1cccs1

Basic Information

ChEMBL ID CHEMBL1505528
Phase Preclinical
Structure Type MOL
InChI Key YABRUOZHPIBVBK-HDFQWQTNSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.77
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O2S
MW 246.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.25

Activity Summary

IC50 3 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.35 4.77 4480.0 2
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 5.16 5.16 6870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine