Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0A5XG
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| Former ID |
DNC001013
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| Drug Name |
NH-3
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| Synonyms |
thyromimetic, 5b; NH-3; CHEMBL109279; JMC496635 Compound 5; GTPL2633; SCHEMBL16993604; BDBM18885; 2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(propan-2-yl)phenyl}methyl)-3,5-dimethylphenoxy]acetic acid; 2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid
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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 |
C28H27NO6
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| Canonical SMILES |
CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C(C)C)O)C#CC3=CC=C(C=C3)[N+](=O)[O-])C)OCC(=O)O
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| InChI |
1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
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| InChIKey |
IXMROOKFPWGDGF-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Thyroid hormone receptor (THR) | Target Info | Antagonist | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2633). | |||
| REF 2 | Design of thyroid hormone receptor antagonists from first principles. J Steroid Biochem Mol Biol. 2002 Dec;83(1-5):59-73. | |||
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