FMK   Click here for help

GtoPdb Ligand ID: 9358

Synonyms: FMK (covalent)
Compound class: Synthetic organic
Comment: FMK is an irreversible inhibitor of ribosomal protein S6 kinases (RSKs) [1]. It binds covalently to the regulatory C-terminal kinase domain of the enzyme, thereby inhibiting activation of the N-terminal kinase domain.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 94.03
Molecular weight 342.15
XLogP 2.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C
Isomeric SMILES OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C
InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
InChI Key IKLGYJACVCXYIL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
FMK (covalent)
Database Links Click here for help
BindingDB Ligand 50248765
CAS Registry No. 821794-92-7 (source: PubChem)
ChEMBL Ligand CHEMBL515414
GtoPdb PubChem SID 328083460
PubChem CID 644243
Search Google for chemical match using the InChIKey IKLGYJACVCXYIL-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IKLGYJACVCXYIL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IKLGYJACVCXYIL-UHFFFAOYSA-N

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Tocris
Fmk (links to external site)
Cat. No. 4690