Compound Detail
CHEMBL101365
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL101365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCZSZEYTIVGGSD-ONEGZZNKSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.34
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) CHEMBL2111369 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.32 | 5.32 | 4800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) | IC50 | = | 20.0 | nM | 7.7 | Inhibition of inositol-5-monophosphate dehydrogenase (IMPDH) | 11462969 |
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 1800.0 | nM | 5.75 | In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase | 1967654 |
| ADMET | IC50 | = | 4800.0 | nM | 5.32 | In vitro inhibition of human lymphocyte proliferation in response to phytohemagg... | 1967654 |
| ADMET | IC50 | = | 4800.0 | nM | 5.32 | In vitro inhibition of human lymphocyte proliferation in response to pokeweed mi... | 1967654 |
| ADMET | IC50 | = | 4800.0 | nM | 5.32 | 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 |
| 11462969 | 10.1021/jm0000214 | Inosine-5'-monophosphate dehydrogenase (IMPDH) | 1 |
| 1967654 | 10.1021/jm00164a057 | Inosine-5'-monophosphate dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine