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Compound Detail

CHEMBL1559259

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COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1

Basic Information

ChEMBL ID CHEMBL1559259
Phase Preclinical
Structure Type MOL
InChI Key GALUEGSXWCYSQD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
4.06
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.29
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 C21H16N2O4S
MW 392.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.66

Activity Summary

IC50 3 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
IC50 6.07 6.07 858.0 1
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.5 5.5 3137.0 1
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.28 5.28 5210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine