EMBL-EBI | Chemical Biology | ChEBI
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| Formula | H3O4P.C29H26FN7O |
| Net Charge | 0 |
| Average Mass | 605.567 |
| Monoisotopic Mass | 605.19518 |
| SMILES | O=P(O)(O)O.[H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(-c3cccc(F)n3)cc1)c2Nc1ccccc1 |
| InChI | InChI=1S/C29H26FN7O.H3O4P/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21;1-5(2,3)4/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3;(H3,1,2,3,4)/t22-,23+;/m1./s1 |
| InChIKey | ZPIAAFIYOPWWJL-RFPXDPOKSA-N |
| Roles Classification |
|---|
| Applications: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. antiparkinson drug A drug used in the treatment of Parkinson's disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lenrispodun phosphate (CHEBI:755876) has role antiparkinson drug (CHEBI:48407) |
| lenrispodun phosphate (CHEBI:755876) has role cardiovascular drug (CHEBI:35554) |
| lenrispodun phosphate (CHEBI:755876) is a pyrazolopyrimidine (CHEBI:38669) |
| Synonyms | Source |
|---|---|
| IC 200214-12 | ChEMBL |
| IC200214 phosphate | ChEMBL |
| ITI-002 | ChEMBL |
| ITI-12-Cyclo-(S,R) phosphate | ChEMBL |
| ITI- 12-phosphate | ChEMBL |
| ITI200214-phosphate | ChEMBL |
| Citations |
|---|