Details of the Drug

General Information of Drug (ID: DMPW5SB)

• Drug Name: Bay 86-9766
• Synonyms: 923032-37-5; RDEA119; BAY 869766; RDEA 119; UNII-JPX07AFM0N; RDEA-119; Refametinib (RDEA119, Bay 86-9766); JPX07AFM0N; (S)-N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide; Refametinib [INN]; 923032-38-6; BAY-869766; BAY 8697661; 3e8n; Refametinib R enantiomer; Refametinib (RDEA119); SCHEMBL345333

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 3	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 572.3
  Topological Polar Surface Area (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C19H20F3IN2O5S
  IUPAC Name: N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
  Canonical SMILES: COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F
  InChI: InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
  InChIKey: RDSACQWTXKSHJT-NSHDSACASA-N
• Cross-matching ID:
  PubChem CID: 44182295
  CAS Number: 923032-37-5
  TTD ID: D03SKL
  INTEDE ID: DR1879

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MAPK/ERK kinase kinase (MAP3K)	TTROQ37	NOUNIPROTAC	Modulator	[3], [4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[5]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[5]

References

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• [4] Antitumour activity of a potent MEK inhibitor RDEA119/BAY 869766 combined with rapamycin in human orthotopic primary pancreatic cancer xenografts.BMC Cancer.2010 Sep 28;10:515.
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• [23] Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33.
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• [25] MEK and the inhibitors: from bench to bedside. J Hematol Oncol. 2013; 6: 27.
• [26] Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
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• [31] Clinical pipeline report, company report or official report of Roche.
• [32] doi: 10.1158/1535-7163.TARG-13-B281