Bioactive Compound Details
| BioID | bio2936 |
|---|---|
| Name | ZONGERTINIB |
| ChEMBL ID | CHEMBL5314498 |
| Molecular Formula | C29H29N9O2 |
| Molecular Weight | 535.61 |
| Molecular Weight (Monoisotopic) | 535.2444 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ZONGERTINIB |
| Smiles | C=CC(=O)NC1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccc6c(c5)ncn6C)c(C)c4)c3n2)CC1 |
| Inchi | InChI=1S/C29H29N9O2/c1-4-26(39)34-19-9-11-38(12-10-19)29-30-15-23-27(36-29)28(32-16-31-23)35-20-5-8-25(18(2)13-20)40-21-6-7-24-22(14-21)33-17-37(24)3/h4-8,13-17,19H,1,9-12H2,2-3H3,(H,34,39)(H,31,32,35) |
| Inchi Key | YSGNGFPNTLERCR-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.22 |
| Records Key | ['ZONGERTINIB'] |
| Records Name | ['ZONGERTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
