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Compound Detail

CHEMBL1462825

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O=C(Cn1nc(Cl)nc1Cl)c1cc2ccccc2oc1=O

Basic Information

ChEMBL ID CHEMBL1462825
Phase Preclinical
Structure Type MOL
InChI Key ACIJLVMBHSTHLJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.1
MW (Da)
2.57
ALogP
6
HBA
0
HBD
78.0
PSA (Ų)
0.55
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 C13H7Cl2N3O3
MW 324.12
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.19

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 72556.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 72556.0 nM 4.14 PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... -

Data from ChEMBL 36 via Core Engine