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Compound Detail

CHEMBL5801102

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N#Cc1ccc(C#Cc2ccc(Oc3[nH]nnc3C(=O)O)cc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5801102
Phase Preclinical
Structure Type MOL
InChI Key UOVWKDYWKGTSDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.71
ALogP
5
HBA
2
HBD
111.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9FN4O3
MW 348.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.36

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