Drug Information

Drug General Information
Drug ID
D0E1HP
Former ID
DNC006067
Drug Name
3,3,3-tris(4-chlorophenyl)propanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527973]
Structure
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2D MOL

3D MOL
Formula
C21H15Cl3O2
Canonical SMILES
C1=CC(=CC=C1C(CC(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)<br />Cl
InChI
1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)
InChIKey
LHIVWYJOCNGZRI-UHFFFAOYSA-N
PubChem Compound ID
75107
Target and Pathway
Target(s) mRNA of human Macrophage migration inhibitory factor Target Info Inhibitor [527973]
KEGG Pathway Tyrosine metabolism
Phenylalanine metabolism
PathWhiz Pathway Tyrosine Metabolism
WikiPathways Spinal Cord Injury
Adipogenesis
References
Ref 527973J Med Chem. 2006 Jan 26;49(2):523-33.Classification of chemical compounds by protein-compound docking for use in designing a focused library.
Ref 527973J Med Chem. 2006 Jan 26;49(2):523-33.Classification of chemical compounds by protein-compound docking for use in designing a focused library.

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