| BioID | bio3203 |
|---|
| Name | PAVINETANT |
|---|
| ChEMBL ID | CHEMBL3545233 |
|---|
| Molecular Formula | C26H25N3O3S |
|---|
| Molecular Weight | 459.57 |
|---|
| Molecular Weight (Monoisotopic) | 459.1617 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AZ-12472520|AZ12472520|AZ124752520|AZ4901|AZD 2624|AZD 4901|AZD-2624|AZD-4901|AZD2624|AZD4901|MLE-4901|MLE4901|PAVINETANT |
|---|
| Smiles | CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 |
|---|
| Inchi | InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1 |
|---|
| Inchi Key | QYTBBBAHNIWFOD-NRFANRHFSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.98 |
|---|
| Records Key | ['AZD2624; AZD4901', 'PAVINETANT', 'PAVINETANT'] |
|---|
| Records Name | ['(S)-3-(methylsulfonamido)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide', 'PAVINETANT', 'PAVINETANT'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
