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Compound Detail

CHEMBL6006896

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O=C(O)c1nn[nH]c1Oc1ccc(C#Cc2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6006896
Phase Preclinical
Structure Type MOL
InChI Key LUIABCYCBGHNAS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.7
MW (Da)
3.35
ALogP
4
HBA
2
HBD
88.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10ClN3O3
MW 339.74
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-Hydroxyacid oxidase 1
CHEMBL4229
 IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
2-Hydroxyacid oxidase 1 IC50 = 0.4 nM 9.4 In-Vitro Human Glycolate Oxidase (hGOX) Assay: The in-vitro glycolate oxidase as... -

Data from ChEMBL 36 via Core Engine