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Compound Detail

CHEMBL5844721

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NS(=O)(=O)c1ccc(Oc2cncc(F)c2)c2c1[C@H](O)C(F)(F)[C@@H]2F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5844721
Phase Preclinical
Structure Type MOL
InChI Key NQEVCRLAZPSJFD-OLZOCXBDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.3
MW (Da)
2.35
ALogP
5
HBA
2
HBD
102.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10F4N2O4S
MW 378.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
 IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endothelial PAS domain-containing protein 1 IC50 = 18.0 nM 7.75 Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... -

Data from ChEMBL 36 via Core Engine