Compound Detail
CHEMBL101463
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COc1cc(N/C(=N/c2cccc(CNC(=O)O[C@H]3CCOC3)c2)NC#N)ccc1-c1cnco1
Basic Information
| ChEMBL ID | CHEMBL101463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMZWJMVHRUVIEY-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.54
ALogP
8
HBA
3
HBD
143.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 340.0 | nM | 6.47 | In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2. | 12270177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12270177 | 10.1016/s0960-894x(02)00600-5 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine