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CHEBI:61390 - afatinib
| Formula | C24H25ClFN5O3 |
| Net Charge | 0 |
| Average Mass | 485.947 |
| Monoisotopic Mass | 485.16300 |
| SMILES | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |
| InChI | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 |
| InChIKey | ULXXDDBFHOBEHA-CWDCEQMOSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| afatinib (CHEBI:61390) has role antineoplastic agent (CHEBI:35610) |
| afatinib (CHEBI:61390) has role tyrosine kinase inhibitor (CHEBI:38637) |
| afatinib (CHEBI:61390) is a aromatic ether (CHEBI:35618) |
| afatinib (CHEBI:61390) is a enamide (CHEBI:51751) |
| afatinib (CHEBI:61390) is a furans (CHEBI:24129) |
| afatinib (CHEBI:61390) is a monochlorobenzenes (CHEBI:83403) |
| afatinib (CHEBI:61390) is a organofluorine compound (CHEBI:37143) |
| afatinib (CHEBI:61390) is a quinazolines (CHEBI:38530) |
| afatinib (CHEBI:61390) is a secondary carboxamide (CHEBI:140325) |
| afatinib (CHEBI:61390) is a tertiary amino compound (CHEBI:50996) |
| Incoming Relation(s) |
| afatinib dimaleate (CHEBI:76003) has part afatinib (CHEBI:61390) |
| IUPAC Name |
|---|
| (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
| INNs | Source |
|---|---|
| afatinib | KEGG DRUG |
| afatinibum | WHO MedNet |
| afatinib | WHO MedNet |
| afatinib | WHO MedNet |
| Synonym | Source |
|---|---|
| BIBW 2992 | ChEBI |
| Citations |
|---|