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Compound Detail

CHEMBL1995565

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Cc1cccc(/N=C/c2[nH]c3ccc(Br)c(Cl)c3c2O)c1

Basic Information

ChEMBL ID CHEMBL1995565
Phase Preclinical
Structure Type MOL
InChI Key WSFNRHXDVPZJBI-UFWORHAWSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.6
MW (Da)
5.35
ALogP
2
HBA
2
HBD
48.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12BrClN2O
MW 363.64
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.82

Activity Summary

EC50 2 meas. best 6.34
IC50 2 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 6.34 6.34 460.0 1
Unchecked
CHEMBL612545
EC50 5.31 5.31 4860.0 1
Unchecked
CHEMBL612545
IC50 4.88 4.88 13069.0 1
Insulin-degrading enzyme
CHEMBL1293287
IC50 4.42 4.42 38211.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine