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Compound Detail

CHEMBL1348506

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O=C(O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL1348506
Phase Preclinical
Structure Type MOL
InChI Key QLQOGFPNPZXVTP-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.2
MW (Da)
5.02
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.66
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 C14H6Cl2F3N3O2S
MW 408.19
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.10

Activity Summary

IC50 2 meas. best 5.3
EC50 1 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
IC50 5.3 5.3 5004.0 1
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
IC50 4.88 4.88 13200.0 1
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 4.36 4.36 43400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine