| BioID | bio3277 |
|---|
| Name | CRINECERFONT |
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| ChEMBL ID | CHEMBL291657 |
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| Molecular Formula | C27H28ClFN2OS |
|---|
| Molecular Weight | 483.05 |
|---|
| Molecular Weight (Monoisotopic) | 482.1595 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 06-RORI|CRINECERFONT|NBI-74788|SSR 125543|SSR-125543|SSR125543 |
|---|
| Smiles | C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1 |
|---|
| Inchi | InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1 |
|---|
| Inchi Key | IEAKXXNRGSLYTQ-DEOSSOPVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -1.28 |
|---|
| Records Key | ['15', 'COVC-1750607684', 'CRINECERFONT', 'CRINECERFONT'] |
|---|
| Records Name | ['SSR-125543A', 'CRINECERFONT HYDROCHLORIDE', 'CRINECERFONT', 'CRINECERFONT'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
