CAS ID: | 94079-80-8 |
Molecular Formula: | C22H30O5 |
Molecular Weight: | 374.5 g/mol |
Monoisotopic Mass: | 374.2093 g/mol |
Class: | Small Molecule |
Natural Product: | No |
Other Names: | CICAPROST |
Analysis: | Drug repositioning mechanism analysis |
InChI: | InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)/b16-9+/t15-,17-,18+,19-,20+,21+/m0/s1 | See All |
InChI Key: | ARUGKOZUKWAXDS-SEWALLKFSA-N | |
Smiles: | CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](O)C[C@@H]2C\C(=C/COCC(=O)O)\C[C@H]12 | See All |
Molfile: | Download |
Target ID | Name | Interaction |
---|---|---|
T0143 | Prostacyclin receptor | antagonist |
Reference Record 1
PubChem: | 5311044 |
ChEMBL: | CHEMBL160629 |