Compound Detail
CHEMBL380639
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Basic Information
| ChEMBL ID | CHEMBL380639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEXHDVQUMQTOMN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.48
ALogP
3
HBA
3
HBD
79.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 76.0 | nM | 7.12 | Inhibition of IMPDH2 | 16483773 |
| PBMC | IC50 | = | 4600.0 | nM | 5.34 | Antiproliferative activity against PBMC | 16483773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16483773 | 10.1016/j.bmcl.2006.01.090 | No relevant target | 3 |
| 16483773 | 10.1016/j.bmcl.2006.01.090 | Caco-2 | 2 |
| 16483773 | 10.1016/j.bmcl.2006.01.090 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 16483773 | 10.1016/j.bmcl.2006.01.090 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine