| Drug General Information |
| Drug ID |
D0G5CS
|
| Former ID |
DNC011119
|
| Drug Name |
PINOCEMBRIN
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Phase 2 |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C15H12O4
|
| Canonical SMILES |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
|
| InChI |
1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
|
| InChIKey |
URFCJEUYXNAHFI-ZDUSSCGKSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 1B1 |
Target Info |
Inhibitor |
[2]
|
|---|
|
BioCyc Pathway
|
Superpathway of tryptophan utilization
|
|
Superpathway of melatonin degradation
|
|
Melatonin degradation I
|
|
KEGG Pathway
|
Steroid hormone biosynthesis
|
|
Tryptophan metabolism
|
|
Metabolism of xenobiotics by cytochrome P450
|
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Ovarian steroidogenesis
|
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Chemical carcinogenesis
|
|
MicroRNAs in cancer
|
|
NetPath Pathway
|
TSH Signaling Pathway
|
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IL4 Signaling Pathway
|
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TGF_beta_Receptor Signaling Pathway
|
|
Reactome
|
Endogenous sterols
|
|
WikiPathways
|
Metapathway biotransformation
|
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Estrogen metabolism
|
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Benzo(a)pyrene metabolism
|
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Tamoxifen metabolism
|
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Tryptophan metabolism
|
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Oxidation by Cytochrome P450
|
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Nuclear Receptors Meta-Pathway
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Estrogen Receptor Pathway
|
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Sulindac Metabolic Pathway
|
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Arylhydrocarbon receptor (AhR) signaling pathway
|
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miR-targeted genes in muscle cell - TarBase
|
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miR-targeted genes in lymphocytes - TarBase
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miR-targeted genes in epithelium - TarBase
|
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miR-targeted genes in adipocytes - TarBase
|
|
Phase 1 - Functionalization of compounds
|
| References |
| REF 1 | ClinicalTrials.gov (NCT02059785) Phase ???tudy of Pinocembrin Injection to Treat Ischemic Stroke. U.S. National Institutes of Health. |
|---|
| REF 2 | Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity. |
|---|
