| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | OBL58JN025 |
Structure
| InChI Key | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21 |
| AlogP | 2.43 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 10 | |
|
Membrane receptor
Family A G protein-coupled receptor
|
- | - | - | 19600 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Myelodysplastic Syndromes | 2 | D009190 | ClinicalTrials |
| Sarcoma, Myeloid | 2 | D023981 | ClinicalTrials |
| Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
| Gallbladder Neoplasms | 1 | D005706 | ClinicalTrials |
| Essential Tremor | 1 | D020329 | ClinicalTrials |
| Cholangiocarcinoma | 1 | D018281 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 28837 |
| ChEMBL | CHEMBL324846 |
| DrugBank | DB04519 |
| DrugCentral | 3998 |
| EPA CompTox | DTXSID3021645 |
| FDA SRS | OBL58JN025 |
| Human Metabolome Database | HMDB0000482 |
| Guide to Pharmacology | 4585 |
| KEGG | C06423 |
| PDB | OCA |
| SureChEMBL | SCHEMBL3933 |
| ZINC | ZINC000001530416 |
CONTENTS