| CAS ID: | 60634-51-7 |
| Molecular Formula: | C27H36N2O7 |
| Molecular Weight: | 384.5 g/mol |
| Monoisotopic Mass: | 384.2413 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C23H32N2O3.C4H4O4/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26;5-3(6)1-2-4(7)8/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14?,15?,17-,19-,21-;/m1./s1 | See All |
| InChI Key: | DYJVZTAMQYDCLP-VCSAJMHUSA-N | |
| Smiles: | CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C(C)C)c4cccc2c34)N(C)C1.OC(=O)\C=C/C(=O)O | See All |
| Molfile: | Download |
| Target ID | Name | Interaction |
|---|---|---|
| T0145 | 5-hydroxytryptamine receptor 2A | antagonist |
| T0146 | 5-hydroxytryptamine receptor 2B | antagonist |
Reference Record 1
Reference Record 2
| PubChem: | 6437377 |
| ChEMBL: | CHEMBL1399645 |