Bioactive Compound Details
| BioID | bio4179 |
|---|---|
| Name | CANDOXATRIL |
| ChEMBL ID | CHEMBL35084 |
| Molecular Formula | C29H41NO7 |
| Molecular Weight | 515.65 |
| Molecular Weight (Monoisotopic) | 515.2883 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar3 |
| Target Name | Prolyl endopeptidase FAP (FAP) |
| Synonyms | CANDOXATRIL|CANDOXATRILO|UK-79,300|UK-79300 |
| Smiles | COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2 |
| Inchi | InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1 |
| Inchi Key | ZTWZVMIYIIVABD-OEMFJLHTSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.3 |
| Records Key | ['SID144210768', 'CANDOXATRIL'] |
| Records Name | ['SID144210768', 'CANDOXATRIL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
