Bioactive Compound Details
| BioID | bio2241 |
|---|---|
| Name | ICOTIDINE |
| ChEMBL ID | CHEMBL145087 |
| Molecular Formula | C21H25N5O2 |
| Molecular Weight | 379.46 |
| Molecular Weight (Monoisotopic) | 379.2008 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ICOTIDINE|SK&F 93319 |
| Smiles | COc1cccnc1CCCCNc1nc(=O)c(Cc2ccc(C)nc2)c[nH]1 |
| Inchi | InChI=1S/C21H25N5O2/c1-15-8-9-16(13-24-15)12-17-14-25-21(26-20(17)27)23-10-4-3-6-18-19(28-2)7-5-11-22-18/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H2,23,25,26,27) |
| Inchi Key | GJCSPRIRQYWXRW-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | -0.64 |
| Records Key | ['3', '3', 'ICOTIDINE'] |
| Records Name | ['2-[4-(3-Methoxy-pyridin-2-yl)-butylamino]-5-(6-methyl-pyridin-3-ylmethyl)-1H-pyrimidin-4-one', '2-[4-(3-Methoxy-pyridin-2-yl)-butylamino]-5-(6-methyl-pyridin-3-ylmethyl)-1H-pyrimidin-4-one', 'ICOTIDINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
