| BioID | bio2360 |
|---|
| Name | OTENABANT HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL2103817 |
|---|
| Molecular Formula | C25H26Cl3N7O |
|---|
| Molecular Weight | 546.89 |
|---|
| Molecular Weight (Monoisotopic) | 509.1498 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CP-945,598|CP-945598|OTENABANT HCL|OTENABANT HYDROCHLORIDE |
|---|
| Smiles | CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Cl |
|---|
| Inchi | InChI=1S/C25H25Cl2N7O.ClH/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27;/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35);1H |
|---|
| Inchi Key | KPYUQCJBZGQHPL-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -1.17 |
|---|
| Records Key | ['CP-945,598', 'OTENABANT HYDROCHLORIDE'] |
|---|
| Records Name | ['1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)-piperidine-4-carboxamide hydrochloride', 'OTENABANT HYDROCHLORIDE'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
