Compound Detail
CHEMBL4639443
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N[C@@]1(C(=O)O)C[C@H]2C[C@@H](O)[C@H](F)[C@H]2[C@@H]1CCCB(O)O
Basic Information
| ChEMBL ID | CHEMBL4639443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHTFRXDGTZYREP-JWOHBHDZSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arginase-1 CHEMBL1075097 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 16.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arginase-1 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of human arginase1 in presence of DNTB by thio ornithine generation a... | 32292567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292567 | 10.1021/acsmedchemlett.0c00058 | Arginase-1 | 1 |
| 32292567 | 10.1021/acsmedchemlett.0c00058 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine