Compound Detail
CHEMBL4749434
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Basic Information
| ChEMBL ID | CHEMBL4749434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHNMIXAVOLTFGT-PHGLEFOZSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arginase-1 CHEMBL1075097 | IC50 | 9.0 | 7.8 | 1.0 | 2 |
| Arginase-2, mitochondrial CHEMBL1795148 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.87 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 65.6 | % | Rattus norvegicus |
| T1/2 | 2.66 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arginase-1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human Arg1 | 32828425 |
| Arginase-1 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant ARG1 expressed in Escherichia coli using L-argin... | 38096651 |
| Arginase-2, mitochondrial | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human Arg2 | 32828425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38096651 | 10.1016/j.ejmech.2023.116033 | ADMET | 6 |
| 32828425 | 10.1016/j.bmc.2020.115658 | Arginase-1 | 1 |
| 32828425 | 10.1016/j.bmc.2020.115658 | Arginase-2, mitochondrial | 1 |
| 38096651 | 10.1016/j.ejmech.2023.116033 | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine