Compound Detail
CHEMBL4638209
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CC(C)[C@H](N)C(=O)N[C@H]1C[C@@H]2C[C@@](N)(C(=O)O)[C@@H](CCCB(O)O)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL4638209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHNQPIRRLYYQNZ-GGNGKRJCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arginase-1 CHEMBL1075097 | IC50 | 7.5 | 6.89 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arginase-1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of arginase1 in human cancer patient serum | 32292567 |
| Arginase-1 | IC50 | = | 522.0 | nM | 6.28 | 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 | 2 |
| 32292567 | 10.1021/acsmedchemlett.0c00058 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine