Compound Detail
CHEMBL424363
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Basic Information
| ChEMBL ID | CHEMBL424363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIIVSVPWZDMPOT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.57
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.8 | 5.59 | 1600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 940.0 | nM | 6.03 | In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase | 1967654 |
| ADMET | IC50 | = | 1600.0 | nM | 5.8 | In vitro inhibition of human lymphocyte proliferation in response to staphylococ... | 1967654 |
| ADMET | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibition of human lymphocyte proliferation in response to phytohemagg... | 1967654 |
| ADMET | IC50 | = | 4300.0 | nM | 5.37 | In vitro inhibition of human lymphocyte proliferation in response to pokeweed mi... | 1967654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1967654 | 10.1021/jm00164a057 | ADMET | 3 |
| 1967654 | 10.1021/jm00164a057 | Inosine-5'-monophosphate dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine