R78

4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide


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Chemical Component Summary

Name4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Identifiers4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
FormulaC28 H39 N7 O3
Molecular Weight521.654
TypeNON-POLYMER
Isomeric SMILESCC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C
InChIInChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
InChIKeyXQVVPGYIWAGRNI-JOCHJYFZSA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count1
Bond Count81
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB16107 
NameBI 2536
Groups investigational
DescriptionBI 2536 is under investigation in clinical trial NCT00376623 (Efficacy and Safety of BI 2536 in Advanced or Metastatic Non Small Cell Lung Cancer).
SynonymsBI 2536
Categories
  • Antimitotic Agents
  • Heterocyclic Compounds, Fused-Ring
CAS number755038-02-9

Related Resource References

Resource NameReference
Pharos CHEMBL513909
PubChem 11364421
ChEMBL CHEMBL513909