| BioID | bio2353 |
|---|
| Name | PINADOLINE |
|---|
| ChEMBL ID | CHEMBL114395 |
|---|
| Molecular Formula | C19H19Cl2N3O3 |
|---|
| Molecular Weight | 408.29 |
|---|
| Molecular Weight (Monoisotopic) | 407.0803 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | PINADOLINA|PINADOLINE|Pinadoline|SC-25469 |
|---|
| Smiles | O=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 |
|---|
| Inchi | InChI=1S/C19H19Cl2N3O3/c20-10-4-3-7-18(25)22-23-19(26)24-12-13-5-1-2-6-16(13)27-17-9-8-14(21)11-15(17)24/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,22,25)(H,23,26) |
|---|
| Inchi Key | OUNSOXPSCMCFHX-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -1.12 |
|---|
| Records Key | ['2', '5', 'PINADOLINE'] |
|---|
| Records Name | [8-Chloro-11H-dibenzo[b,f][1,4]oxazepine-10-carboxylic acid N'-(5-chloro-pentanoyl)-hydrazide", "8-Chloro-11H-dibenzo[b,f][1,4]oxazepine-10-carboxylic acid N'-(5-chloro-pentanoyl)-hydrazide", 'PINADOLINE']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
