acoramidis   Click here for help

GtoPdb Ligand ID: 13628

Synonyms: AG-10 | AG10 | Attruby®
Approved drug PDB Ligand
acoramidis is an approved drug (FDA (2024))
Compound class: Synthetic organic
Comment: Acoramidis (AG10) is an orally bioactive, small molecule transthyretin (TTR) stabiliser that functions to reduce the formation of pathogenic amyloid plaques that accumulate in the organs of individuals with misassembled TTR proteins [1].
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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 70.92
Molecular weight 292.31
XLogP 2.07
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES CC1=C(CCCOC2=CC(=CC=C2F)C(=O)O)C(=NN1)C
Isomeric SMILES CC1=C(C(=NN1)C)CCCOC2=C(C=CC(=C2)C(=O)O)F
InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChI Key WBFUHHBPNXWNCC-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2024))
IUPAC Name Click here for help
3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
International Nonproprietary Names Click here for help
INN number INN
11205 acoramidis
Synonyms Click here for help
AG-10 | AG10 | Attruby®
Database Links Click here for help
CAS Registry No. 1446711-81-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL3940890
DrugBank Ligand DB17999
GtoPdb PubChem SID 504705447
PubChem CID 71464713
RCSB PDB Ligand 16V
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UniChem Compound Search for chemical match using the InChIKey WBFUHHBPNXWNCC-UHFFFAOYSA-N
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