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Compound Detail

CHEMBL5766224

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N#Cc1c(S(=O)(=O)C(F)(F)F)ccc(Oc2cc(F)cc(Cl)c2)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5766224
Phase Preclinical
Structure Type MOL
InChI Key RGEQLVUIHZSLNZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.2
MW (Da)
5.09
ALogP
4
HBA
0
HBD
67.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H5Cl2F4NO3S
MW 414.16
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
 IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endothelial PAS domain-containing protein 1 IC50 = 15.0 nM 7.82 Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... -

Data from ChEMBL 36 via Core Engine