Obatoclax mesylateProduct ingredient for Obatoclax
- Name
- Obatoclax mesylate
- Drug Entry
- Obatoclax
Obatoclax has been used in trials studying the treatment of AML, Leukemia, Myelofibrosis, Hodgkin's Lymphoma, and Mantle-Cell Lymphoma, among others.
- Accession Number
- DBSALT002151
- Structure
Structure for Obatoclax mesylate (DBSALT002151)
- Synonyms
- Obatoclax mesilate / Obatoclax mesylate
- External IDs
- GX 15-070MS / GX-15-070MS / GX15-070MS
- UNII
- 39200FJ43J
- CAS Number
- 803712-79-0
- Weight
- Average: 413.49
Monoisotopic: 413.140927407 - Chemical Formula
- C21H23N3O4S
- InChI Key
- ZFKXDVMHNXPEIY-PEZBNFGJSA-N
- InChI
- InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21-22H,1-3H3;1H3,(H,2,3,4)/b19-10-;
- IUPAC Name
- 2-[(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-2H-pyrrol-5-yl]-1H-indole; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1
- External Links
- ChemSpider
- 24583304
- ChEMBL
- CHEMBL2107358
- Wikipedia
- Obatoclax
- Predicted Properties
Property Value Source Water Solubility 0.00402 mg/mL ALOGPS logP 4.15 ALOGPS logP 3.14 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 13.97 Chemaxon pKa (Strongest Basic) 4.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 53.17 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 100.22 m3·mol-1 Chemaxon Polarizability 37.32 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon