KW-2449   

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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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+
InChI Key YYLKKYCXAOBSRM-JXMROGBWSA-N

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
serine/threonine kinase 17a DRAK1 Hs Inhibitor Inhibition 8.5 pKd
myosin light chain kinase 3 MLCK Hs Inhibitor Inhibition 8.4 pKd
serine/threonine kinase 17b DRAK2 Hs Inhibitor Inhibition 8.3 pKd
mitogen-activated protein kinase kinase kinase 19 YSK4 Hs Inhibitor Inhibition 8.3 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(T315I)-phosphorylated Hs Inhibitor Inhibition 8.2 pKd
fms related receptor tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 8.2 pKd
BMP2 inducible kinase BIKE Hs Inhibitor Inhibition 8.0 pKd
mitogen-activated protein kinase kinase kinase kinase 2 MAP4K2 Hs Inhibitor Inhibition 8.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(T315I)-nonphosphorylated Hs Inhibitor Inhibition 7.9 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D,T670I) Hs Inhibitor Inhibition 7.9 pKd
Displaying the top 10 targets  View all targets in screen »