donafenib   Click here for help

GtoPdb Ligand ID: 11830

Synonyms: CM-4307 | CM4307 | Sorafenib-d3 | Zepsun®
Compound class: Synthetic organic
Comment: Donafenib (CM-4307) is a deuterated derivative of the approved multikinase inhibitor sorafenib. Like sorafenib, it is orally active. Deuteration improves the stability of drug molecules thus extending half-life and increasing systemic exposure. This means that the effective drug dose may be shifted downward, with an associated improvement in tolerability. The medical formulation is donafenib tosylate.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.35
Molecular weight 464.09
XLogP 3.75
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC([2H])([2H])[2H]
Isomeric SMILES C([2H])([2H])([2H])NC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1cc(c(cc1)Cl)C(F)(F)F
InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
CM-4307 | CM4307 | Sorafenib-d3 | Zepsun®
Database Links Click here for help
CAS Registry No. 1130115-44-4 (source: PubChem)
ChEMBL Ligand CHEMBL4297490
DrugBank Ligand DB15414
GtoPdb PubChem SID 461663386
PubChem CID 25191001
Search Google for chemical match using the InChIKey MLDQJTXFUGDVEO-FIBGUPNXSA-N
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UniChem Connectivity Search for chemical match using the InChIKey MLDQJTXFUGDVEO-FIBGUPNXSA-N