Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05EOW
|
|||
| Former ID |
DIB019732
|
|||
| Drug Name |
diarylpropionitril
|
|||
| Synonyms |
1428-67-7; diarylpropionitrile; 2,3-bis(4-hydroxyphenyl)propionitrile; 2,3-bis(4-hydroxyphenyl)propanenitrile; 2,3-bis(4-hydroxyphenyl)-propionitrile; 2,3-Bis(p-hydroxyphenyl)propionitrile; CHEMBL334773; CHEBI:63949; DPN compound; Benzenepropanenitrile,4-hydroxy-a-(4-hydroxyphenyl)-; SR-01000597601; BRN 3337109; SC-4473; 2,3-Bis(p-hydroxyphenyl)-propionitrile; Propionitrile, 2,3-bis(p-hydroxyphenyl); Propionitrile, 2,3-bis(p-hydroxyphenyl)-; AC1L2T6L; GTPL2825; SCHEMBL1940848; DTXSID0040387; CTK8F9375; MolPort-003-983-761
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C15H13NO2
|
|||
| Canonical SMILES |
C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O
|
|||
| InChI |
1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
|
|||
| InChIKey |
GHZHWDWADLAOIQ-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 1428-67-7
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:63949
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estrogen receptor beta (ESR2) | Target Info | Agonist | [2] |
| KEGG Pathway | Estrogen signaling pathway | |||
| Prolactin signaling pathway | ||||
| Pathway Interaction Database | Plasma membrane estrogen receptor signaling | |||
| Validated nuclear estrogen receptor beta network | ||||
| Validated nuclear estrogen receptor alpha network | ||||
| Reactome | Nuclear Receptor transcription pathway | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Ovarian Infertility Genes | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| Nuclear Receptors | ||||
| 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: 2825). | |||
| REF 2 | Estrogen receptor-beta potency-selective ligands: structure-activity relationship studies of diarylpropionitriles and their acetylene and polar analogues. J Med Chem. 2001 Nov 22;44(24):4230-51. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.