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Compound Detail

CHEMBL1894760

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CN(C)c1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL1894760
Phase Preclinical
Structure Type MOL
InChI Key VXQGBGAKYBGKCS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
3.75
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O2S2
MW 344.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.09

Activity Summary

EC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine