| BioID | bio4157 |
|---|
| Name | PAGOCLONE |
|---|
| ChEMBL ID | CHEMBL2104745 |
|---|
| Molecular Formula | C23H22ClN3O2 |
|---|
| Molecular Weight | 407.9 |
|---|
| Molecular Weight (Monoisotopic) | 407.1401 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar21 |
|---|
| Target Name | Inflammation pathogenesis (IP) |
|---|
| Synonyms | CI-1043|IP 456|IP-456|PAGOCLONA|PAGOCLONE|RP 62955|RP-62955 |
|---|
| Smiles | CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 |
|---|
| Inchi | InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3 |
|---|
| Inchi Key | HIUPRQPBWVEQJJ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.41 |
|---|
| Records Key | ['PAGOCLONE', 'Pagoclone', 'PAGOCLONE'] |
|---|
| Records Name | ['PAGOCLONE', 'Pagoclone', 'PAGOCLONE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
