Compound Detail
CHEMBL151560
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Cc1cc(CO)nc(N2C[C@@H](C)N(c3ccnc([C@@H](C)O)n3)[C@@H](C)C2)n1
Basic Information
| ChEMBL ID | CHEMBL151560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOPCJRWDTAGVMB-HZSPNIEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.22
ALogP
8
HBA
2
HBD
98.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sorbitol dehydrogenase CHEMBL2275 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sorbitol dehydrogenase | IC50 | = | 100.0 | nM | 7.0 | Concentration required for 50% in vitro inhibition of recombinant human sorbitol... | 11784155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784155 | 10.1021/jm010440g | Sorbitol dehydrogenase | 1 |
| 11784155 | 10.1021/jm010440g | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine