bendamustine   

GtoPdb Ligand ID: 7478

Synonyms: Levact® | SDX-105 | Treanda®
bendamustine is an approved drug (FDA (2008), UK (2010))
Compound class: Synthetic organic
Comment: The marketed formulation contains the hydrochloride salt (PubChem CID 77082).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 58.36
Molecular weight 357.1
XLogP 3.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl
Isomeric SMILES ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl
InChI InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
InChI Key YTKUWDBFDASYHO-UHFFFAOYSA-N
Bioactivity Comments
Due to the complex and varied nature of nucleic acids we do not include DNA or RNA as targets on this database, hence this drug has no tagged primary mechanistic target.