Compound Detail
CHEMBL155616
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COc1cc2nc(-c3ccc4c(c3)C([N+](C)(C)C)CC4)cc(O)c2cc1-c1cnco1.[I-]
Basic Information
| ChEMBL ID | CHEMBL155616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAITZYWLJYFBMG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181100 |
| Active Moiety | CHEMBL1181100 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.96
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II | 12565969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565969 | 10.1016/s0960-894x(02)00945-9 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12565969 | 10.1016/s0960-894x(02)00945-9 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine