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CHEBI:47097 - lonafarnib
| Formula | C27H31Br2ClN4O2 |
| Net Charge | 0 |
| Average Mass | 638.832 |
| Monoisotopic Mass | 636.05023 |
| SMILES | NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 |
| InChI | InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1 |
| InChIKey | DHMTURDWPRKSOA-RUZDIDTESA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | EC 2.5.1.58 (protein farnesyltransferase) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lonafarnib (CHEBI:47097) has role antineoplastic agent (CHEBI:35610) |
| lonafarnib (CHEBI:47097) has role EC 2.5.1.58 (protein farnesyltransferase) inhibitor (CHEBI:64133) |
| lonafarnib (CHEBI:47097) is a 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide (CHEBI:90678) |
| IUPAC Name |
|---|
| 4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide |
| INNs | Source |
|---|---|
| lonafarnibum | WHO MedNet |
| lonafarnib | WHO MedNet |
| lonafarnib | WHO MedNet |
| lonafarnib | WHO MedNet |
| Synonym | Source |
|---|---|
| SCH 66336 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 336 | PDBeChem |
| D04768 | KEGG DRUG |
| Lonafarnib | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8244925 | Reaxys |
| CAS:193275-84-2 | ChemIDplus |
| Citations |
|---|