Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5838689

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1cc(C#Cc2cccc(Oc3[nH]nnc3C(=O)O)c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5838689
Phase Preclinical
Structure Type MOL
InChI Key RJQOOEFOKJIVQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
1.43
ALogP
6
HBA
2
HBD
105.9
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 C15H11N5O3
MW 309.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.37

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