Compound Detail
CHEMBL138238
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CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@H](O)CC3=CC(=O)O[C@H]3C)O2)O1
Basic Information
| ChEMBL ID | CHEMBL138238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMYJUNWBFMBKKB-WGCJABNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
622.9
MW (Da)
7.86
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bos taurus CHEMBL613489 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | IC50 | = | 0.8 | nM | 9.1 | Inhibition concentration was evaluated in NADH oxidase assay using bovine heart ... | 14741257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741257 | 10.1016/j.bmcl.2003.11.057 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine