| BioID | bio4175 |
|---|
| Name | METHALLENESTRIL |
|---|
| ChEMBL ID | CHEMBL1697842 |
|---|
| Molecular Formula | C18H22O3 |
|---|
| Molecular Weight | 286.37 |
|---|
| Molecular Weight (Monoisotopic) | 286.1569 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar3 |
|---|
| Target Name | Prolyl endopeptidase FAP (FAP) |
|---|
| Synonyms | METALENESTRILO|METHALLENESTRIL|METHALLENESTROL|METHALLENOESTRIL|NSC-74235 |
|---|
| Smiles | CCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O |
|---|
| Inchi | InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20) |
|---|
| Inchi Key | KHLJKRBMZVNZOC-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 0.17 |
|---|
| Records Key | ['METHALLENESTRIL', 'Methallenestril', 'METHALLENESTRIL'] |
|---|
| Records Name | ['METHALLENESTRIL', 'Methallenestril', 'METHALLENESTRIL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
