Compound Detail
CHEMBL168861
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Basic Information
| ChEMBL ID | CHEMBL168861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVUZLDOXUBRWHS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.81
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.77 | 5.52 | 1700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 1100.0 | nM | 5.96 | In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase | 1967654 |
| ADMET | IC50 | = | 1700.0 | nM | 5.77 | In vitro inhibition of human lymphocyte proliferation in response to pokeweed mi... | 1967654 |
| ADMET | IC50 | = | 3800.0 | nM | 5.42 | 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 staphylococ... | 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