EAM

2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide


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Chemical Component Summary

Name2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
Identifiers2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethyl-ethanamide
FormulaC22 H22 Cl N5 O2
Molecular Weight423.895
TypeNON-POLYMER
Isomeric SMILESCCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C
InChIInChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyAAAQFGUYHFJNHI-SFHVURJKSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count55
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB16239 
NameMolibresib
Groups investigational
DescriptionMolibresib is under investigation in clinical trial NCT01943851 (A Dose Escalation Study to Investigate the Safety, Pharmacokinetics (PK), Pharmacodynamics (PD) and Clinical Activity of GSK525762 in Subjects With Relapsed, Refractory Hematologic Malignancies).
Synonyms
  • Molibresib
  • Bet inhibitor gsk525762
Categories
  • Benzazepines
  • Heterocyclic Compounds, Fused-Ring
CAS number1260907-17-2

Related Resource References

Resource NameReference
Pharos CHEMBL1232461
PubChem 46943432
ChEMBL CHEMBL1232461
ChEBI CHEBI:95082