A1120   Click here for help

GtoPdb Ligand ID: 8792

Synonyms: A 1120 | compound 33 [PMID: 24835984]
PDB Ligand
Compound class: Synthetic organic
Comment: A1120 is reported as a potent non-retinoid inhibitor of plasma retinol-binding protein RBP4 [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 69.64
Molecular weight 392.13
XLogP 4.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O
Isomeric SMILES O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O
InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
InChI Key MEAQCLPMSVEOQF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
Synonyms Click here for help
A 1120 | compound 33 [PMID: 24835984]
Database Links Click here for help
CAS Registry No. 1152782-19-8 (source: PubChem)
ChEMBL Ligand CHEMBL1230001
GtoPdb PubChem SID 252827450
PubChem CID 25138295
RCSB PDB Ligand 2T1
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SynPHARM 82796 (in complex with retinol binding protein 4)

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Tocris
A 1120
Cat. No. 3793