| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | J9F5ZPH7NB |
Structure
| InChI Key | HZVLFTCYCLXTGV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H29N5O3S |
| Molecular Weight | 491.62 |
| AlogP | 4.14 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 105.98 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 35.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Lipid-like ligand receptor (family A GPCR)
Prostanoid receptor
|
- | 12-1614 | 5 | 13-449 | - | |
|
Unclassified protein
|
- | - | - | 24 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteoarthritis | 1 | D010003 | ClinicalTrials |
| Colorectal Neoplasms | 1 | D015179 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3039498 |
| DrugBank | DB12836 |
| EPA CompTox | DTXSID60194419 |
| FDA SRS | J9F5ZPH7NB |
| Guide to Pharmacology | 5858 |
| SureChEMBL | SCHEMBL120428 |
| ZINC | ZINC000038228051 |
CONTENTS