Compound Detail
CHEMBL333901
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Basic Information
| ChEMBL ID | CHEMBL333901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHVSUNXSDJXWDG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
5.38
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMP... | 14505670 |
| CCRF-CEM | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of CEM (human leukemia) cell proliferation. | 14505670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505670 | 10.1016/s0960-894x(03)00757-1 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 14505670 | 10.1016/s0960-894x(03)00757-1 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine