| CAS ID: | 142741-24-0 |
| Molecular Formula: | C44H50N4O10 |
| Molecular Weight: | 794.9 g/mol |
| Monoisotopic Mass: | 794.3527 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | Conophylline |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C44H50N4O10/c1-7-41-16-20(37(51)55-5)34-44(23-14-25(49)30(53-3)31(54-4)28(23)46-34)10-12-48(40(41)44)29-19-13-22-24(15-26(19)57-32(29)35(41)50)45-33-21(38(52)56-6)17-42(8-2)36-27(58-36)18-47-11-9-43(22,33)39(42)47/h13-15,27,29,32,35-36,39-40,45-46,49-50H,7-12,16-18H2,1-6H3/t27-,29-,32+,35-,36-,39+,40+,41-,42-,43+,44+/m1/s1 | See All |
| InChI Key: | QZRIMAMDGWAHPQ-ATPAGDLWSA-N | |
| Smiles: | CC[C@@]12CC(=C3Nc4c(OC)c(OC)c(O)cc4[C@@]35CCN([C@H]6[C@H](Oc7cc8NC9=C(C[C@]%10(CC)[C@@H]%11O[C@@H]%11CN%12CC[C@]9([C@H]%10%12)c8cc67)C(=O)OC)[C@H]1O)[C@@H]25)C(=O)OC | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28594915 | Target ID | |
| Uniprot ID | Name | ||
| Model | mice | Fibrosis Disease | Liver fibrosis |
| Process I | attenue inflammation | ||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | Targeting TGF-β signaling, PPARα, FABP, and ACOX1-related β-oxidation | ||
| PubChem: | 15226696 |
| ChEMBL: | CHEMBL506768 |