KW-2449   Click here for help

GtoPdb Ligand ID: 5691

Synonyms: KW 2449
Compound class: Synthetic organic
Comment: KW-2449 is a multi-targeted kinase inhibitor [2] that was investigated as a treatment for leukemias with FLT3 mutations or T315I-mutated BCR/ABL translocation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 61.02
Molecular weight 332.16
XLogP 3.64
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1ccc(cc1)C=Cc1[nH]nc2c1cccc2)N1CCNCC1
Isomeric SMILES O=C(c1ccc(cc1)/C=C/c1[nH]nc2c1cccc2)N1CCNCC1
InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
KW 2449
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9699411
Reactome Reaction Reactome logo R-HSA-9702508, R-HSA-9695828, R-HSA-9702570
Other databases
CAS Registry No. 1000669-72-6
ChEMBL Ligand CHEMBL1908397
GtoPdb PubChem SID 178102318
PubChem CID 11427553
Search Google for chemical match using the InChIKey YYLKKYCXAOBSRM-JXMROGBWSA-N
Search Google for chemicals with the same backbone YYLKKYCXAOBSRM
UniChem Compound Search for chemical match using the InChIKey YYLKKYCXAOBSRM-JXMROGBWSA-N
UniChem Connectivity Search for chemical match using the InChIKey YYLKKYCXAOBSRM-JXMROGBWSA-N