Cobimetinib fumarateProduct ingredient for Cobimetinib
- Name
- Cobimetinib fumarate
- Drug Entry
- Cobimetinib
Cobimetinib is an orally active, potent and highly selective small molecule inhibiting mitogen-activated protein kinase kinase 1 (MAP2K1 or MEK1), and central components of the RAS/RAF/MEK/ERK signal transduction pathway. It has been approved in Switzerland and the US, in combination with vemurafenib for the treatment of patients with unresectable or metastatic BRAF V600 mutation-positive melanoma.
- Accession Number
- DBSALT001290
- Structure
Structure for Cobimetinib fumarate (DBSALT001290)
- Synonyms
- Cobimetinib fumarate / Cobimetinib hemifumarate
- UNII
- 6EXI96H8SV
- CAS Number
- 1369665-02-0
- Weight
- Average: 1178.707
Monoisotopic: 1178.13707 - Chemical Formula
- C46H46F6I2N6O8
- InChI Key
- RESIMIUSNACMNW-BXRWSSRYSA-N
- InChI
- InChI=1S/2C21H21F3IN3O2.C4H4O4/c2*22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17;5-3(6)1-2-4(7)8/h2*4-7,9,17,26-27,30H,1-3,8,10-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*17-;/m00./s1
- IUPAC Name
- (2E)-but-2-enedioic acid; bis(1-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl}-3-[(2S)-piperidin-2-yl]azetidin-3-ol)
- SMILES
- OC(=O)\C=C\C(O)=O.OC1(CN(C1)C(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1F)[C@@H]1CCCCN1.OC1(CN(C1)C(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1F)[C@@H]1CCCCN1
- External Links
- KEGG Drug
- D10615
- ChemSpider
- 28536131
- ChEBI
- 90853
- ChEMBL
- CHEMBL2364607
- Wikipedia
- Cobimetinib
- Predicted Properties
Property Value Source logP 5.04 Chemaxon pKa (Strongest Acidic) 13.37 Chemaxon pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 64.6 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 115.85 m3·mol-1 Chemaxon Polarizability 44.75 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon