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Compound Detail

CHEMBL1521250

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COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL1521250
Phase Preclinical
Structure Type MOL
InChI Key NAAZOUSRAVRLLT-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
5.35
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13Cl2N3O2
MW 398.25
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.09

Activity Summary

EC50 4 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.5 5.5 3155.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.43 5.43 3714.0 1
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.16 5.16 6990.0 1
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 4.56 4.56 27600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine