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

CHEMBL1232077

OXFENICINE
🧪 Phase II
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
🧪 Phase II
N[C@H](C(=O)O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1232077
Name OXFENICINE
Phase Phase II
Structure Type MOL
InChI Key LJCWONGJFPCTTL-ZETCQYMHSA-N

Known Names

(s)-(4-hydroxyphenyl)glycine 4-hydroxyphenylglycine, (s)- L-2-(p-hydroxyphenyl)glycine Oxfenicina Oxfenicine UK-25,842 UK-25842
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
7
Known Names

Molecular Properties

167.2
MW (Da)
0.48
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Year 1979

Extended Properties

Molecular Formula C8H9NO3
MW 167.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.61

Activity Summary

IC50 7 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carnitine O-palmitoyltransferase 1, liver isoform
CHEMBL1293194
 IC50 4.96 4.96 11000.0 1
Carnitine O-palmitoyltransferase 2, mitochondrial
CHEMBL4037
 IC50 4.1 4.1 79000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carnitine O-palmitoyltransferase 1, liver isoform IC50 = 11000.0 nM 4.96 Inhibition of CPT1 (unknown origin) 38621327
Carnitine O-palmitoyltransferase 2, mitochondrial IC50 = 79000.0 nM 4.1 Inhibition of rat CPT2 38621327

Literature References

PubMed DOI Target Context # Activities
7265127 10.1021/jm00136a009 Pyruvate dehydrogenase kinase 6
7265127 10.1021/jm00136a009 Rattus norvegicus 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
21504156 10.1021/jm100809g Unchecked 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21504156 10.1021/jm100809g KB 1
21504156 10.1021/jm100809g Carnitine O-palmitoyltransferase 2, mitochondrial 1
21504156 10.1021/jm100809g Carnitine O-palmitoyltransferase 1, muscle isoform 1
21504156 10.1021/jm100809g Carnitine O-palmitoyltransferase 1, liver isoform 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
38621327 10.1016/j.ejmech.2024.116408 Carnitine O-palmitoyltransferase 1, liver isoform 1
38621327 10.1016/j.ejmech.2024.116408 Carnitine O-palmitoyltransferase 2, mitochondrial 1

Data from ChEMBL 36 via Core Engine