dorsomorphin   Click here for help

GtoPdb Ligand ID: 4907

Synonyms: AMPK Inhibitor, Compound C
PDB Ligand
Compound class: Synthetic organic
Comment: Dorsomorphin is a potent, reversible, selective AMP-activated protein kinase (AMPK) inhibitor [4]. It is an ATP-competitive inhibitor of the catalytic α subunit of the heterotrimeric enzyme.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 55.55
Molecular weight 399.21
XLogP 3.72
No. Lipinski's rules broken 0
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Canonical SMILES C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1
Isomeric SMILES C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1
InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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Molecular structure representations generated using Open Babel