| BioID | bio3136 |
|---|
| Name | IPTACOPAN |
|---|
| ChEMBL ID | CHEMBL4594448 |
|---|
| Molecular Formula | C25H30N2O4 |
|---|
| Molecular Weight | 422.53 |
|---|
| Molecular Weight (Monoisotopic) | 422.2206 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | IPTACOPAN|LNP-023|LNP023|NVP-LNP023|NVP-LNP023-NX |
|---|
| Smiles | CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1 |
|---|
| Inchi | InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1 |
|---|
| Inchi Key | RENRQMCACQEWFC-UGKGYDQZSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 36.0 |
|---|
| Np Likeness Score | -0.2 |
|---|
| Records Key | ['41; LNP023', 'IPTACOPAN', 'IPTACOPAN'] |
|---|
| Records Name | ['4-((2S,4S)-(4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl))benzoic Acid', 'IPTACOPAN', 'IPTACOPAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
