| BioID | bio3276 |
|---|
| Name | CERLAPIRDINE |
|---|
| ChEMBL ID | CHEMBL2103880 |
|---|
| Molecular Formula | C22H23N3O3S |
|---|
| Molecular Weight | 409.51 |
|---|
| Molecular Weight (Monoisotopic) | 409.146 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CERLAPIRDINA|CERLAPIRDINE|Cerlapirdine|PF-05212365|SAM-531|SAM-531 FREE BASE|WAY-262,531|WAY-262531 |
|---|
| Smiles | CN(C)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 |
|---|
| Inchi | InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24) |
|---|
| Inchi Key | NXQGEDVQXVTCDA-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -1.14 |
|---|
| Records Key | ['44, SAM-315', 'CERLAPIRDINE', 'SAM-531', 'CERLAPIRDINE', '14'] |
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| Records Name | ['N,N-dimethyl-3-(3-(naphthalen-1-ylsulfonyl)-1H-indazol-5-yloxy)propan-1-amine', 'CERLAPIRDINE', 'N,N-dimethyl-3-(3-(naphthalen-1-ylsulfonyl)-1H-indazol-5-yloxy)propan-1-amine', 'CERLAPIRDINE', 'Cerlapirdine'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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