MG149   Click here for help

GtoPdb Ligand ID: 7488

Synonyms: MG 149 | MG-149
Compound class: Synthetic organic
Comment: MG148 is a derivative of anacardic acid. This compound is an inhibitor of K(lysine) acetyltransferase 5 (KAT5 aka Tip60) and K(lysine) acetyltransferase 8 (KAT8 aka HMOF) [2-3]. However, a 2017 article by Dahlin et al. suggests that MG148 non-specifically perturbs biological assays, bringing in to question its HAT inhibitor activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 57.53
Molecular weight 340.2
XLogP 7.75
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O
Isomeric SMILES CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O
InChI InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
InChI Key WBHQYBZRTAEHRR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-(4-heptylphenyl)ethyl]-6-hydroxybenzoic acid
Synonyms Click here for help
MG 149 | MG-149
Database Links Click here for help
ChEMBL Ligand CHEMBL1215739
GtoPdb PubChem SID 187051791
PubChem CID 49864204
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