AKN-028   Click here for help

GtoPdb Ligand ID: 7969

Synonyms: AKN 028 | AKN028
Compound class: Synthetic organic
Comment: AKN-028 is an orally bioavailable protein tyrosine kinase inhibitor for FMS-related tyrosine kinase 3 (FLT3) and stem cell factor receptor (SCFR; KIT), that was developed for potential antineoplastic activity [1-2]. The compound inhibits wild-type and mutant FLT3 and KIT kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 92.51
Molecular weight 302.13
XLogP 2.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1
Isomeric SMILES Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1
InChI InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)
InChI Key JLRIJKVMMZEKDF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine
Synonyms Click here for help
AKN 028 | AKN028
Database Links Click here for help
CAS Registry No. 1175017-90-9
GtoPdb PubChem SID 249565652
PubChem CID 44177328
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