XIN
methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
Find entries where: XIN
is present as a standalone ligand in 4 entries
Chemical Component Summary | |
|---|---|
| Name | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate |
| Identifiers | methyl (3Z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)ethanoyl]amino]phenyl]amino]-phenyl-methylidene]-2-oxo-1H-indole-6-carboxylate |
| Formula | C31 H33 N5 O4 |
| Molecular Weight | 539.625 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 |
| InChI | InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- |
| InChIKey | XZXHXSATPCNXJR-ZIADKAODSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 73 |
| Chiral Atom Count | 0 |
| Bond Count | 77 |
| Aromatic Bond Count | 18 |
Drug Info: DrugBank
| DrugBank ID | DB09079? |
|---|---|
| Name | Nintedanib |
| Groups | approved |
| Description | Nintedanib is a small molecule kinase inhibitor used in the treatment of pulmonary fibrosis, systemic sclerosis-associated interstitial lung disease, and non-small cell lung cancer (NSCLC).[L8453,L8459] It was first approved for use in the United States in 2014.[L8453] Within the spectrum of idiopathic pulmonary fibrosis treatment options, nintedanib is currently one of only two disease-modifying therapies available and indicated for the condition (the other being [Pirfenidone]) and as such is used as a first-line treatment following diagnosis to slow down the progressive loss of lung function.[A185237] As a chemotherapeutic agent for NSCLC, nintedanib, in combination with [Docetaxel], is reserved for patients who have tried and failed first-line chemotherapeutic options.[L8459] |
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| Brand Names |
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| Indication | Nintedanib is indicated for the treatment of idiopathic pulmonary fibrosis (IPF)[L8453] and to slow declining pulmonary function in patients with systemic sclerosis-associated interstitial lung disease.[L8462] It is also indicated for the treatment of chronic fibrosing interstitial lung diseases with a progressive phenotype.[L8462] In the EU, under the brand name Vargatef, nintedanib is indicated in combination with docetaxel for the treatment of adult patients with metastatic, locally advanced, or locally recurrent non-small cell lung cancer of adenocarcinoma histology who have already tried first-line therapy.[L8459] |
| Categories |
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| ATC-Code | L01EX09 |
| CAS number | 656247-17-5 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | MVSYWDTGVLLCALLSCLLLTGSSSGSKLKDPELSLKGTQHIMQAGQTLH... | unknown | inhibitor |
| Vascular endothelial growth factor receptor 2 | MQSKVLLAVALWLCVETRAASVGLPSVSLDLPRLSIQKDILTIKANTTLQ... | unknown | inhibitor |
| Vascular endothelial growth factor receptor 3 | MQRGAALCLRLWLCLGLLDGLVSGYSMTPPTLNITEESHVIDTGDSLSIS... | unknown | inhibitor |
| Platelet-derived growth factor receptor alpha | MGTSHPAFLVLGCLLTGLSLILCQLSLPSILPNENEKVVQLNSSFSLRCF... | unknown | inhibitor |
| Platelet-derived growth factor receptor beta | MRLPGAMPALALKGELLLLSLLLLLEPQISQGLVVTPPGPELVLNVSSTF... | unknown | inhibitor |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 9809715 |
