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Compound Detail

CHEMBL1415999

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CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1

Basic Information

ChEMBL ID CHEMBL1415999
Phase Preclinical
Structure Type MOL
InChI Key MBAIMMGUMAISCU-WOJGMQOQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
5.16
ALogP
7
HBA
2
HBD
108.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O5S
MW 462.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.92

Activity Summary

EC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.54 5.54 2870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine