| BioID | bio3140 |
|---|
| Name | CENICRIVIROC |
|---|
| ChEMBL ID | CHEMBL2110727 |
|---|
| Molecular Formula | C41H52N4O4S |
|---|
| Molecular Weight | 696.96 |
|---|
| Molecular Weight (Monoisotopic) | 696.3709 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CENICRIVIROC|Cenicriviroc|TAK-652|TBR-652 |
|---|
| Smiles | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1 |
|---|
| Inchi | InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1 |
|---|
| Inchi Key | PNDKCRDVVKJPKG-WHERJAGFSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 11.0 |
|---|
| Bioactivities | 19.0 |
|---|
| Np Likeness Score | -0.84 |
|---|
| Records Key | ['CENICRIVIROC', '25, TAK652', '76', 'Cenicriviroc', 'CENICRIVIROC', 'CENICRIVIROC', 'CENICRIVIROC', 'TAK-652; TBR-652', 'EOS101755'] |
|---|
| Records Name | ['CENICRIVIROC', 'Cenicriviroc', 'Cenicriviroc', 'Cenicriviroc', 'CENICRIVIROC', 'CENICRIVIROC', 'CENICRIVIROC', 'Cenicriviroc', 'CENICRIVIROC'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
