| BioID | bio2877 |
|---|
| Name | CONIVAPTAN |
|---|
| ChEMBL ID | CHEMBL1755 |
|---|
| Molecular Formula | C32H26N4O2 |
|---|
| Molecular Weight | 498.59 |
|---|
| Molecular Weight (Monoisotopic) | 498.2056 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CONIVAPTAN|Conivaptan |
|---|
| Smiles | Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2 |
|---|
| Inchi | InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37) |
|---|
| Inchi Key | IKENVDNFQMCRTR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 20.0 |
|---|
| Bioactivities | 40.0 |
|---|
| Np Likeness Score | -1.2 |
|---|
| Records Key | ['Conivaptan', 'Conivaptan', 'YM-087', 'conivaptan', 'Conivaptan', 'CONIVAPTAN', 'YM087', 'CONIVAPTAN', 'CONIVAPTAN', 'Conivaptan', 'CONIVAPTAN', 'CONIVAPTAN', 'Conivaptan HCl (Vaprisol)'] |
|---|
| Records Name | ['Conivaptan', 'Conivaptan', 'Conivaptan', 'conivaptan', 'Conivaptan', 'CONIVAPTAN', 'Conivaptan', 'CONIVAPTAN', 'CONIVAPTAN', 'Conivaptan', 'CONIVAPTAN', 'CONIVAPTAN', 'Conivaptan HCl (Vaprisol)'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
