Compound Detail
CHEMBL4754674
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Basic Information
| ChEMBL ID | CHEMBL4754674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOLQVOXQHFRJPR-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
2.12
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.12
Ki 3 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arginase-1 CHEMBL1075060 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
| Arginase-1 CHEMBL1075060 | Ki | 4.09 | 4.09 | 82000.0 | 3 |
| Arginase-1 CHEMBL1075097 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arginase-1 | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incuba... | 33479657 |
| Arginase-1 | Ki | = | 82000.0 | nM | 4.09 | Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as subst... | 33479657 |
| Arginase-1 | Ki | = | 82000.0 | nM | 4.09 | Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as subst... | 33479657 |
| Arginase-1 | Ki | = | 82000.0 | nM | 4.09 | Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as subst... | 33479657 |
| Arginase-1 | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of recombinant human liver ARGI using L-arginine as substrate incubat... | 33479657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479657 | 10.1039/d0md00011f | Arginase-1 | 6 |
Data from ChEMBL 36 via Core Engine