DT-Web

DB07638 - (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL


Identification
Name (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
Accession Number DB07638
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 318.3146
Groups experimental
Monoisotopic Weight 318.106750788
Pharmacology
Indication Not Available
Mechanism of action Not Available
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity Not Available
Affected organisms Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Estrogen receptor
Name Estrogen receptor
Gene Name ESR1
Pharmacological action unknown
Actions Not Available
References
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 0.8056
Estrogen receptor beta
Name Estrogen receptor beta
Gene Name ESR2
Pharmacological action unknown
Actions Not Available
References
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 0.9385

Predictions


Id Partner name Gene Name Score
6228 Nuclear receptor coactivator 1 NCOA1 0.2566
6241 Nuclear receptor coactivator 2 NCOA2 0.2355
614 Progesterone receptor PGR 0.063
6560 Nuclear receptor coactivator 5 NCOA5 0.0526
4512 Cytochrome P450 3A4 CYP3A4 0.0508
756 Sex hormone-binding globulin SHBG 0.0474
3437 Eosinophil lysophospholipase CLC 0.0424
3811 Cytochrome P450 19A1 CYP19A1 0.0354
1588 Multidrug resistance protein 1 ABCB1 0.0352
66 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type II HSD3B2 0.0302
4757 Cytochrome P450 2C9 CYP2C9 0.0249
57 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type I HSD3B1 0.0225
2107 Microtubule-associated protein 1A MAP1A 0.0204
6139 Solute carrier organic anion transporter family member 1A2 SLCO1A2 0.0189
4200 Cytochrome P450 1A2 CYP1A2 0.0188
4924 Cytochrome P450 2C8 CYP2C8 0.0188
1852 Microtubule-associated protein 2 MAP2 0.0153
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0141
6030 Cytochrome P450 2B6 CYP2B6 0.0128
687 Tyrosine-protein phosphatase non-receptor type 1 PTPN1 0.0118
373 Transthyretin TTR 0.0117
6024 Cytochrome P450 1A1 CYP1A1 0.0117
146 Androgen receptor AR 0.0115
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0109
587 Serum albumin ALB 0.0099
6020 Aldehyde oxidase AOX1 0.0098
992 Protein tyrosine kinase 2 beta PTK2B 0.0095
381 Prolactin receptor PRLR 0.0093
6145 Solute carrier family 22 member 1 SLC22A1 0.0088
5718 Cytochrome P450 2A6 CYP2A6 0.0088
6013 Cytochrome P450 2E1 CYP2E1 0.0081
1898 Cytochrome P450 1B1 CYP1B1 0.0077
3809 Estrogen-related receptor gamma ESRRG 0.0076
6016 Cytochrome P450 2C19 CYP2C19 0.0073
3810 Catechol O-methyltransferase COMT 0.0068
862 Multidrug resistance-associated protein 1 ABCC1 0.0066
1284 Nuclear receptor subfamily 1 group I member 2 NR1I2 0.0063
776 Bile salt export pump ABCB11 0.006
596 3-oxo-5-alpha-steroid 4-dehydrogenase 1 SRD5A1 0.0057
817 DNA topoisomerase 2-alpha TOP2A 0.0056
6141 Sodium/bile acid cotransporter SLC10A1 0.0055
4118 Cytochrome P450 3A5 CYP3A5 0.0047
1649 Small inducible cytokine A2 CCL2 0.0046
1632 Solute carrier organic anion transporter family member 2B1 SLCO2B1 0.0044
1192 Sulfotransferase 1A1 SULT1A1 0.0041
871 Glucocorticoid receptor NR3C1 0.0041
226 Gonadotropin-releasing hormone receptor GNRHR 0.004
6107 Cytochrome P450 3A7 CYP3A7 0.004
1490 Solute carrier organic anion transporter family member 1B1 SLCO1B1 0.0038
6104 Dimethylaniline monooxygenase [N-oxide-forming] 1 FMO1 0.0036
4210 Toll-like receptor 4 TLR4 0.0036
6153 Solute carrier organic anion transporter family member 4A1 SLCO4A1 0.0036
6142 Solute carrier family 22 member 8 SLC22A8 0.0034
1291 cAMP response element-binding protein CREB1 0.0033
6158 Solute carrier organic anion transporter family member 1C1 SLCO1C1 0.0033
6085 Fatty acid-binding protein, intestinal FABP2 0.0032
6025 UDP-glucuronosyltransferase 1-4 UGT1A4 0.0031
6157 Solute carrier organic anion transporter family member 1B3 SLCO1B3 0.003
6101 Dimethylaniline monooxygenase [N-oxide-forming] 3 FMO3 0.003
6147 Solute carrier family 22 member 3 SLC22A3 0.003
4604 Liver carboxylesterase 1 CES1 0.0028
1024 Solute carrier family 22 member 11 SLC22A11 0.0027
6017 Cholesterol side-chain cleavage enzyme, mitochondrial CYP11A1 0.0027
6144 Solute carrier family 22 member 2 SLC22A2 0.0026
3830 Calreticulin CALR 0.0025
6035 Nuclear receptor ROR-beta RORB 0.0024
6034 Hydroxyindole O-methyltransferase ASMT 0.0024
6036 Eosinophil peroxidase EPX 0.0024
6148 Multidrug resistance-associated protein 7 ABCC10 0.0022
4119 Cytochrome P450 2D6 CYP2D6 0.0021
571 Melatonin receptor type 1A MTNR1A 0.0021
362 Melatonin receptor type 1B MTNR1B 0.0021
765 Indoleamine 2,3-dioxygenase IDO1 0.002
6022 UDP-glucuronosyltransferase 1-1 UGT1A1 0.002
696 Kappa-type opioid receptor OPRK1 0.002
467 Delta-type opioid receptor OPRD1 0.002
847 Mu-type opioid receptor OPRM1 0.0019
243 Ribosyldihydronicotinamide dehydrogenase [quinone] NQO2 0.0016
468 Cytochrome P450 4A11 CYP4A11 0.0016
380 Cytochrome P450 17A1 CYP17A1 0.0014
6149 Solute carrier family 22 member 10 SLC22A10 0.0014
6167 Organic solute transporter subunit beta OSTB 0.0014
6166 Organic solute transporter subunit alpha OSTA 0.0014
465 Calmodulin CALM1 0.0013
1757 Myeloperoxidase MPO 0.0013
737 Mineralocorticoid receptor NR3C2 0.0012
6155 ATP-binding cassette transporter sub-family C member 11 ABCC11 0.0012
6160 Solute carrier organic anion transporter family member 3A1 SLCO3A1 0.0011
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.0009
2164 Multidrug resistance-associated protein 4 ABCC4 0.0008
1729 Solute carrier family 22 member 6 SLC22A6 0.0007
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