Compound Detail
CHEMBL444502
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Basic Information
| ChEMBL ID | CHEMBL444502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUQFCLKDOPFZEG-KGVSQERTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
3.70
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | Ki | 4.84 | 4.84 | 14300.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | Ki | 4.37 | 4.37 | 42800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | Ki | = | 14300.0 | nM | 4.84 | Inhibition of human IMPDH2 | 18809333 |
| Inosine-5'-monophosphate dehydrogenase 1 | Ki | = | 42800.0 | nM | 4.37 | Inhibition of human IMPDH1 | 18809333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18809333 | 10.1016/j.bmc.2008.08.062 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 18809333 | 10.1016/j.bmc.2008.08.062 | Inosine-5'-monophosphate dehydrogenase 1 | 1 |
| 18809333 | 10.1016/j.bmc.2008.08.062 | K562 | 1 |
Data from ChEMBL 36 via Core Engine