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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZD 4877 | AZD-4877 | cc-722
Database Links Click here for help
CAS Registry No. 1176760-49-8
ChEMBL Ligand CHEMBL1829433
GtoPdb PubChem SID 223366041
PubChem CID 10368812
Search Google for chemical match using the InChIKey SMFXSYMLJDHGIE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey SMFXSYMLJDHGIE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SMFXSYMLJDHGIE-UHFFFAOYSA-N