Drug Information

Drug General Information
Drug ID
D04SEX
Former ID
DIB020789
Drug Name
R,R-THC
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539865]
Structure
Download
2D MOL
Formula
C22H24O2
InChI
InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKey
MASYAWHPJCQLSW-ZIAGYGMSSA-N
PubChem Compound ID
446849
PubChem Substance ID
825341, 825342, 7887367, 10299964, 11111107, 15770585, 17405026, 24278394, 26753569, 26753570, 36889159, 47943753, 50106248, 50106249, 50571333, 53777569, 56463009, 85788173, 90340585, 91703954, 92303758, 93165495, 103191856, 104637114, 121361372, 124749738, 124800048, 135650105, 135698475, 162023133, 162817061, 163564417, 175448517, 179235796, 204430851, 238349797, 241033755, 241053568, 241375728, 252156239
Target and Pathway
Target(s) Estrogen receptor beta Target Info Antagonist [525532]
Estrogen receptor Target Info Agonist [534824]
KEGG Pathway Estrogen signaling pathway
Prolactin signaling pathwayhsa04915:Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Endocrine and other factor-regulated calcium reabsorption
Proteoglycans in cancer
NetPath Pathway FSH Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling Pathway
Pathway Interaction Database Plasma membrane estrogen receptor signaling
Validated nuclear estrogen receptor beta network
Validated nuclear estrogen receptor alpha networksmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class II
LKB1 signaling events
Regulation of Telomerase
ATF-2 transcription factor network
AP-1 transcription factor network
FOXM1 transcription factor network
Validated nuclear estrogen receptor alpha network
Signaling mediated by p38-alpha and p38-beta
FOXA1 transcription factor network
Reactome Nuclear Receptor transcription pathwayR-HSA-1251985:Nuclear signaling by ERBB4
Nuclear Receptor transcription pathway
WikiPathways SIDS Susceptibility Pathways
Ovarian Infertility Genes
Integrated Pancreatic Cancer Pathway
Nuclear ReceptorsWP712:Estrogen signaling pathway
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Signaling by ERBB4
JAK/STAT
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Integrated Breast Cancer Pathway
Nuclear Receptors
References
Ref 539865(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: 2822).
Ref 525532Estrogen receptor subtype-selective ligands: asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl- 5,6,11, 12-tetrahydrochrysenes. J Med Chem. 1999 Jul 1;42(13):2456-68.
Ref 534824Novel ligands that function as selective estrogens or antiestrogens for estrogen receptor-alpha or estrogen receptor-beta. Endocrinology. 1999 Feb;140(2):800-4.

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