Compound Detail
CHEMBL4778978
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Basic Information
| ChEMBL ID | CHEMBL4778978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDJZMDPTUCXSJF-VQVTYTSYSA-N |
1
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
217.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arginase-1 CHEMBL1075097 | IC50 | 8.4 | 8.31 | 4.0 | 2 |
| Arginase-1 CHEMBL1075097 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 41.0 | % | Mus musculus |
| F | 12.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arginase-1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarg... | 34527178 |
| Arginase-1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human Arg1 by TOGA assay | 32828425 |
| Arginase-1 | EC50 | = | 6900.0 | nM | 5.16 | Inhibition of human ARG1 in HEK293 cells by cell based assay | 34527178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34527178 | 10.1021/acsmedchemlett.1c00195 | Arginase-1 | 2 |
| 34527178 | 10.1021/acsmedchemlett.1c00195 | ADMET | 2 |
| 32828425 | 10.1016/j.bmc.2020.115658 | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine