ibrutinib

chemical compound

Wikidata entity: Q5984881

C₂₅H₂₄N₆O₂ (P274)


Wikimedia Commons category is Ibrutinib



Quantities

P2067mass440.196

P3780 active ingredient in ... Q29005968 (Imbruvica) Imbruvica
P233 canonical SMILES String C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N ???
P373 Commons category String Ibrutinib ???
P527 has part(s) ... Q623 (carbon) carbon
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N ???
P8026 LiverTox likelihood score ... Q83284515 (LiverTox toxicity likelihood category D) LiverTox toxicity likelihood category D
P2175 medical condition treated ... Q29496 (leukemia) leukemia
P2175 medical condition treated ... Q136312 (central nervous system lymphoma) central nervous system lymphoma
P2175 medical condition treated ... Q208414 (lymphoma) lymphoma
P2175 medical condition treated ... Q268713 (mantle cell lymphoma) mantle cell lymphoma
P2175 medical condition treated ... Q1138590 (non-Hodgkin lymphoma) non-Hodgkin lymphoma
P2175 medical condition treated ... Q1194520 (graft-versus-host disease) graft-versus-host disease
P2175 medical condition treated ... Q1088156 (chronic lymphocytic leukemia) chronic lymphocytic leukemia
P2175 medical condition treated ... Q1778287 (Waldenström macroglobulinemia) Waldenström macroglobulinemia
P2175 medical condition treated ... Q2626074 (diffuse large B-cell lymphoma) diffuse large B-cell lymphoma
P2175 medical condition treated ... Q4833719 (B-cell lymphoma) B-cell lymphoma
P2175 medical condition treated ... Q18553852 (lymphoblastic leukemia) lymphoblastic leukemia
P129 physically interacts with ... Q401536 (BLK proto-oncogene, Src family tyrosine kinase) BLK proto-oncogene, Src family tyrosine kinase
P129 physically interacts with ... Q423572 (Bruton's tyrosine kinase) Bruton's tyrosine kinase
P129 physically interacts with ... Q21106693 (BMX non-receptor tyrosine kinase) BMX non-receptor tyrosine kinase
P3489 pregnancy category ... Q28123618 (US pregnancy category D) US pregnancy category D
P769 significant drug interaction ... Q18216 (aspirin) aspirin
P769 significant drug interaction ... Q177094 (imatinib) imatinib
P769 significant drug interaction ... Q304088 (acenocoumarol) acenocoumarol
P769 significant drug interaction ... Q307088 (abciximab) abciximab
P769 significant drug interaction ... Q410237 (clopidogrel) clopidogrel
P769 significant drug interaction ... Q414462 (apixaban) apixaban
P769 significant drug interaction ... Q415366 (tirofiban) tirofiban
P769 significant drug interaction ... Q416232 (prasugrel) prasugrel
P769 significant drug interaction ... Q420262 (rivaroxaban) rivaroxaban
P769 significant drug interaction ... Q420542 (ticagrelor) ticagrelor
P769 significant drug interaction ... Q2295855 (eptifibatide) eptifibatide
P769 significant drug interaction ... Q5186964 (crizotinib) crizotinib
P769 significant drug interaction ... Q5908266 (idelalisib) idelalisib
P769 significant drug interaction ... Q113368879 (rac-warfarin) rac-warfarin
P279 subclass of ... Q27163257 (1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one) 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one
P2868 subject has role ... Q7251487 (protein kinase inhibitors) protein kinase inhibitors
P2275 World Health Organisation international non-proprietary name Monolingualtext ibrutinib ???

External Ids
P267ATC codeL01XE27
P231CAS Registry Number936563-96-1
P683ChEBI ID76612
P592ChEMBL IDCHEMBL1873475
P661ChemSpider ID26637187
P715DrugBank IDDB09053
P11198DrugCentral ID4810
P8494DSSTOX compound identifierDTXCID601323465
P3117DSSTox substance IDDTXSID60893450
P232EC number805-642-2
P2566ECHA Substance Infocard ID100.232.543
P646Freebase ID/m/0hr5hzf
P595Guide to Pharmacology Ligand ID6912
P2062HSDB ID8260
P234InChIInChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
P235InChIKeyXYFPWWZEPKGCCK-GOSISDBHSA-N
P665KEGG IDD10223
P7830LiverTox IDIbrutinib
P10245MedlinePlus drug identifiera614007
P6366Microsoft Academic ID (discontinued)2779878957
P2115NDF-RT IDN0000189502
P10283OpenAlex IDC2779878957
P3636PDB ligand ID1E8
P638PDB structure ID4IFG
P638PDB structure ID4RZ7
P11199Probes And Drugs IDPD003357
P662PubChem CID24821094
P1579Reaxys registry number13102252
P3345RxNorm CUI1442981
P2877SureChEMBL ID201859
P4527UK Parliament thesaurus ID446352
P2892UMLS CUIC3501358
P11089UniChem compound ID1110206
P652UNII1X70OSD4VX
P11143WikiProjectMed IDIbrutinib

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