Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1879)
Drug Name
BAY-8697661
Synonyms
Refametinib; Refametinib (RDEA119); JPX07AFM0N; RDEA 119; RDEA-119; RDEA119; Refametinib R enantiomer; Refametinib [INN]; SCHEMBL345333; (S)-N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; 3e8n; 923032-37-5; BAY 86-9766; BAY 86-97661; BAY 869766; BAY 8697661; BAY-869766; N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide; Refametinib (RDEA119, Bay 86-9766); UNII-JPX07AFM0N
Indication Hepatocellular carcinoma [ICD11: 2C12] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 572.3 Topological Polar Surface Area 116
Heavy Atom Count 31 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
44182295
PubChem SID
85177011 ; 89943266 ; 124899205 ; 135264395 ; 137275836 ; 140908101 ; 162037702 ; 163563839 ; 170482249 ; 186000966 ; 198043957 ; 198960555 ; 210275127 ; 210280766 ; 224705491 ; 226680221 ; 242059802 ; 245093467 ; 249565625 ; 249623782 ; 252216184 ; 252451591 ; 252470677
CAS Number
923032-37-5
TTD Drug ID
D03SKL
Formula
C19H20F3IN2O5S
Canonical SMILES
COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
BAY-8697661 metabolite M17 DM002482
44182295
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000348 BAY-8697661 BAY-8697661 metabolite M17 Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Allosteric MEK1/2 inhibitor refametinib (BAY 86-9766) in combination with sorafenib exhibits antitumor activity in preclinical murine and rat models of hepatocellular carcinoma. Neoplasia. 2013 Oct;15(10):1161-71.
2 Multicenter phase I trial of the mitogen-activated protein kinase 1/2 inhibitor BAY 86-9766 in patients with advanced cancer. Clin Cancer Res. 2013 Mar 1;19(5):1232-43.
3 U. S. FDA Label -BAY-8697661

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