Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E1HP
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| Former ID |
DNC006067
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| Drug Name |
3,3,3-tris(4-chlorophenyl)propanoic acid
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| Synonyms |
3,3,3-Tris(4-chlorophenyl)propionic acid; 2168-06-1; 3,3,3-Tris(4-chlorophenyl)propanoic acid; 3,3,3-Tris(p-chlorophenyl)propionic acid; CHEMBL201593; AK-23664; 3,3,3-tris-(4-Chlorophenyl)propionic acid; 3,3,3-TRIS(4-CHLOROPHENYL)PROPIONIS ACID; W-107531; rarechem al bo 1263; AC1Q3NC9; ACMC-1CB39; SCHEMBL503944; C21H15Cl3O2; AC1L2O20; LHIVWYJOCNGZRI-UHFFFAOYSA-; CTK4E7478; DTXSID30176065; LHIVWYJOCNGZRI-UHFFFAOYSA-N; MolPort-003-928-967; 3,3,3-tris-(4-chlorophenyl)-pr; ZINC4529217; KS-00000NC6; EINECS 218-509-3; CT-098
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H15Cl3O2
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| Canonical SMILES |
C1=CC(=CC=C1C(CC(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl
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| 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)
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| InChIKey |
LHIVWYJOCNGZRI-UHFFFAOYSA-N
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| CAS Number |
CAS 2168-06-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | MIF messenger RNA (MIF mRNA) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Tyrosine metabolism | |||
| Phenylalanine metabolism | ||||
| Pathwhiz Pathway | Tyrosine Metabolism | |||
| WikiPathways | Spinal Cord Injury | |||
| Adipogenesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Classification of chemical compounds by protein-compound docking for use in designing a focused library. J Med Chem. 2006 Jan 26;49(2):523-33. | |||
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