Bioactive Compound Details
| BioID | bio4167 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1813580 |
| Molecular Formula | C26H27N5O2 |
| Molecular Weight | 441.54 |
| Molecular Weight (Monoisotopic) | 441.2165 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar37 |
| Target Name | IBD4 |
| Synonyms | None |
| Smiles | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ncc[nH]2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1 |
| Inchi | InChI=1S/C26H27N5O2/c1-15-5-9-19(10-6-15)30-25(32)21-17(3)29-18(4)22(23(21)24-27-13-14-28-24)26(33)31-20-11-7-16(2)8-12-20/h5-14,23,29H,1-4H3,(H,27,28)(H,30,32)(H,31,33) |
| Inchi Key | ZJPDUAPSHUPFNF-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.98 |
| Records Key | ['IB4'] |
| Records Name | ['4-(2-Imidazolyl)-2,6-dimethyl-3,5-bis-N-(4-methylphenyl)carbamoyl-1,4-dihydropyridine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
