Compound Detail
CHEMBL226118
OLEOYL GLYCINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL226118 |
| Name | OLEOYL GLYCINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPFXACZRFJDURI-KTKRTIGZSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
5.22
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 6.3 | 6.3 | 500.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 17.03 | hr | Homo sapiens |
| T1/2 | 0.45 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes asses... | 30714733 |
| Sodium- and chloride-dependent glycine transporter 2 | IC50 | = | 500.0 | nM | 6.3 | Reversible non-competitive inhibition of human GlyT2a expressed in Xenopus laevi... | 30714733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30714733 | 10.1021/acs.jmedchem.8b01775 | ADMET | 4 |
| 17383881 | 10.1016/j.bmc.2007.03.026 | RAW264.7 | 3 |
| 30714733 | 10.1021/acs.jmedchem.8b01775 | Sodium- and chloride-dependent glycine transporter 2 | 3 |
| 21257314 | 10.1016/j.bmc.2010.12.046 | HaCaT | 2 |
| 30714733 | 10.1021/acs.jmedchem.8b01775 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine