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CHEBI:177452 - Emicerfont
| Formula | C22H24N6O2 |
| Net Charge | 0 |
| Average Mass | 404.474 |
| Monoisotopic Mass | 404.19607 |
| SMILES | COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1 |
| InChI | InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29) |
| InChIKey | JFHJGXQFESYQGY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | Sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Emicerfont (CHEBI:177452) has role antispasmodic drug (CHEBI:53784) |
| Emicerfont (CHEBI:177452) is a aromatic amine (CHEBI:33860) |
| Emicerfont (CHEBI:177452) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one |
| INN | Source |
|---|---|
| emicerfont | WHO MedNet |
| Synonyms | Source |
|---|---|
| GW-876008 | ChEMBL |
| GW876008 | ChEMBL |
| GW-876008X | ChEMBL |
| GW876008X | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| CAS:786701-13-1 | ChemIDplus |
| Citations |
|---|