Covpdb









Ligand
Ligand Name:   CC 292
Ligand Type:   non-polymer
Ligand ID:   COVPDB359 PubChem:   59174488
Synonym(s):  
  •   avl-292
  • spebrutinib
  • 1202757-89-8
  • cc-292
  • avl292
  • unii-dru6ng543j
  • n-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
  • spebrutinib (avl-292)
  • dru6ng543j
  • n-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
  • n-[3-[[5-fluoro-2-[[4-(2-methoxyethoxy)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide
  • avl 292
  • cc-292 (avl-292)
  • n-(3-(5-fluoro-2-(4-(2-methoxyethoxy)phenylamino)pyrimidin-4-ylamino)phenyl)acrylamide
  • btk inhibitor cc-292
  • spebrutinib [usan:inn]
  • spebrutinib (usan/inn)
  • schembl626216
  • gtpl7837
  • chembl3301625
  • amy9065
  • ex-a255
  • hms3653e15
  • hms3674e05
  • aob87153
  • bcp07702
  • 2235ah
  • abp001105
  • avl-292, cc-292
  • bdbm50161162
  • mfcd25976876
  • nsc780020
  • s7173
  • zinc72319585
  • akos026670200
  • akos032949981
  • ccg-268921
  • cs-1482
  • db11764
  • nsc-780020
  • sb14609
  • ncgc00386306-03
  • ncgc00386306-06
  • 2-propenamide, n-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)-4-pyrimidinyl)amino)phenyl)-
  • ac-32618
  • ak198940
  • as-16998
  • da-35316
  • hy-18012
  • qc-11653
  • ab0165821
  • ft-0751022
  • sw219474-1
  • a13202
  • d10730
  • w-6114
  • q27088846
  • n-(3-((5-fluoro-2-((4-(2-methoxyethoxyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
  • n-(3-{5-fluoro-2-[4-(2-methoxy-ethoxy)-phenylamino]-pyrimidin-4-ylamino}-phenyl)-acrylamide
  • n-{3-[(5-fluoro-2-{[4-(2-methoxyethoxy)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
show 59 synonym(s)
DrugBank:   DB11764 ChEMBL:   CHEMBL3301625
Canonical SMILES:   COCCOc1ccc(cc1)Nc2ncc(F)c(n2)Nc3cccc(c3)NC(=O)C=C
Standard InChI:   InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
Molecular Formula:   C22H22FN5O3 Mol. Weight:   423.17065 logP:   4.2526
HBD:   3 HBA:   7
#Rotatable Bonds:   10 TPSA:   97.4

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Tyrosine-protein kinase BTK Q06187 (BTK_HUMAN) Homo sapiens (Human) 5P9L 7G9
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