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Compound Detail

CHEMBL1409207

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Nc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12

Basic Information

ChEMBL ID CHEMBL1409207
Phase Preclinical
Structure Type MOL
InChI Key SZZIPXGWHNHVMG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
5.33
ALogP
7
HBA
2
HBD
80.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9F3N4OS3
MW 426.47
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.67

Activity Summary

EC50 2 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.56 5.56 2760.0 1
Unchecked
CHEMBL612545
EC50 5.23 5.23 5910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine