Compound Detail
CHEMBL4778773
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Basic Information
| ChEMBL ID | CHEMBL4778773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVNZXTIUJUZTOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
2.93
ALogP
7
HBA
2
HBD
79.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.51 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase | IC50 | = | 0.08 | nM | 10.1 | Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate preincubated f... | 26878898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26878898 | 10.1021/acs.jmedchem.5b01760 | No relevant target | 2 |
| 26878898 | 10.1021/acs.jmedchem.5b01760 | ADMET | 2 |
| 26878898 | 10.1021/acs.jmedchem.5b01760 | Oxidized purine nucleoside triphosphate hydrolase | 1 |
Data from ChEMBL 36 via Core Engine