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Compound Detail

CHEMBL5839087

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O=C(O)c1nn[nH]c1Oc1ccc(C#Cc2ccccc2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5839087
Phase Preclinical
Structure Type MOL
InChI Key HZQSNLYCBUZIRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
2.83
ALogP
4
HBA
2
HBD
88.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10FN3O3
MW 323.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-Hydroxyacid oxidase 1
CHEMBL4229
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
2-Hydroxyacid oxidase 1 IC50 = 1.0 nM 9.0 In-Vitro Human Glycolate Oxidase (hGOX) Assay: The in-vitro glycolate oxidase as... -

Data from ChEMBL 36 via Core Engine