Bioactive Compound Details
| BioID | bio2075 |
|---|---|
| Name | ICALCAPRANT |
| ChEMBL ID | CHEMBL5314519 |
| Molecular Formula | C23H26N4O3 |
| Molecular Weight | 406.49 |
| Molecular Weight (Monoisotopic) | 406.2005 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ICALCAPRANT |
| Smiles | COc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1 |
| Inchi | InChI=1S/C23H26N4O3/c1-26-15-20(23(25-26)29-2)21-4-3-13-27(21)14-16-5-9-18(10-6-16)30-19-11-7-17(8-12-19)22(24)28/h5-12,15,21H,3-4,13-14H2,1-2H3,(H2,24,28)/t21-/m0/s1 |
| Inchi Key | OBDLEFCGVHQDFR-NRFANRHFSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.14 |
| Records Key | ['ICALCAPRANT'] |
| Records Name | ['ICALCAPRANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
