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Compound Detail

CHEMBL1306923

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O=C(NN/C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc21)c1cccnc1

Basic Information

ChEMBL ID CHEMBL1306923
Phase Preclinical
Structure Type MOL
InChI Key ISFBUHKLGKVGDR-ZHZULCJRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.54
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.39
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 C23H18N4O3
MW 398.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.53

Activity Summary

EC50 1 meas. best 4.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.14 4.14 71936.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 71936.0 nM 4.14 PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... -

Data from ChEMBL 36 via Core Engine