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Compound Detail

CHEMBL1974381

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Clc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1

Basic Information

ChEMBL ID CHEMBL1974381
Phase Preclinical
Structure Type MOL
InChI Key MRNRDFOQXNZICL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.1
MW (Da)
6.67
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8Cl4N2O2
MW 402.06
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
IC50 6.14 6.14 727.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine