neratinib

chemical compound

Wikidata entity: Q6995920

C₃₀H₂₉ClN₆O₃ (P274)


Wikimedia Commons category is Neratinib



Quantities

P2067mass556.198966

P3780 active ingredient in ... Q47521888 (Nerlynx) Nerlynx
P233 canonical SMILES String CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C ???
P373 Commons category String Neratinib ???
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C ???
P8026 LiverTox likelihood score ... Q83284878 (Լյարդի ախտահարման հավանականության E կատեգորիա) Լյարդի ախտահարման հավանականության E կատեգորիա
P2175 medical condition treated ... Q128581 (breast cancer) breast cancer
P1748 NCI Thesaurus ID String C49094 ???
P129 physically interacts with ... Q415271 (Erb-b2 receptor tyrosine kinase 2) Erb-b2 receptor tyrosine kinase 2
P129 physically interacts with ... Q424401 (epidermal growth factor receptor) epidermal growth factor receptor
P279 subclass of ... Q27163217 (N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide) N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
P2868 subject has role ... Q7251487 (protein kinase inhibitors) protein kinase inhibitors
P2868 subject has role ... Q50348938 (xenobiotic-transporting ATPase inhibitor) xenobiotic-transporting ATPase inhibitor

External Ids
P267ATC codeL01XE45
P2581BabelNet ID01320706n
P2581BabelNet ID01320706n
P231CAS Registry Number698387-09-6
P683ChEBI ID61397
P592ChEMBL IDCHEMBL180022
P661ChemSpider ID8091392
P715DrugBank IDDB11828
P11198DrugCentral ID5252
P8494DSSTOX compound identifierDTXCID70142623
P3117DSSTox substance IDDTXSID70220132
P232EC number811-237-1
P2566ECHA Substance Infocard ID100.241.512
P646Freebase ID/m/04zwl3b
P595Guide to Pharmacology Ligand ID5686
P234InChIInChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
P235InChIKeyJWNPDZNEKVCWMY-VQHVLOKHSA-N
P665KEGG IDD08950
P7830LiverTox IDNeratinib
P10245MedlinePlus drug identifiera617034
P6366Microsoft Academic ID (discontinued)2779413316
P2115NDF-RT IDN0000193550
P10283OpenAlex IDC2779413316
P11199Probes And Drugs IDPD003298
P662PubChem CID9915743
P3345RxNorm CUI1940643
P2877SureChEMBL ID571762
P11089UniChem compound ID430796
P652UNIIJJH94R3PWB
P11143WikiProjectMed IDNeratinib

Why not click here or view trends?

log id: 2708481