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Compound Detail

CHEMBL1440549

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CCC(=O)NNC(=S)NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1440549
Phase Preclinical
Structure Type MOL
InChI Key AUAHLIBWGDCGLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
0.73
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O2S
MW 251.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -2.11

Activity Summary

EC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.46 4.46 34971.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 34971.0 nM 4.46 PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... -

Data from ChEMBL 36 via Core Engine