AZD4877   Click here for help

GtoPdb Ligand ID: 7708

Synonyms: AZD 4877 | AZD-4877 | cc-722
Compound class: Synthetic organic
Comment: AZD4877 was developed as an inhibitor of the kinesin spindle protein KIF11 (aka Eg5) and was investigated as a potential treatment for haematopoietic and solid malignancies. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 122.35
Molecular weight 503.24
XLogP 5.05
No. Lipinski's rules broken 1
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Canonical SMILES NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C
Isomeric SMILES NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C
InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
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Mechanism Of Action and Pharmacodynamic Effects Click here for help
AZD4877 causes mitotic arrest and leads to the formation of the monopolar spindle phenotype characteristic of KSP inhibition. This action induces cell death [1].