DT-Web

DB03860 - N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide


Identification
Name N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide
Accession Number DB03860 (EXPT00529)
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 525.8054
Groups experimental
Monoisotopic Weight 525.418194631
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 beta
Name Estrogen receptor beta
Gene Name ESR2
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
  • 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 0.8581

Predictions


Id Partner name Gene Name Score
6228 Nuclear receptor coactivator 1 NCOA1 0.2444
136 Estrogen receptor ESR1 0.122
6560 Nuclear receptor coactivator 5 NCOA5 0.0526
3437 Eosinophil lysophospholipase CLC 0.0424
756 Sex hormone-binding globulin SHBG 0.0335
1588 Multidrug resistance protein 1 ABCB1 0.0165
66 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type II HSD3B2 0.0153
57 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type I HSD3B1 0.0141
2107 Microtubule-associated protein 1A MAP1A 0.013
4512 Cytochrome P450 3A4 CYP3A4 0.0128
1852 Microtubule-associated protein 2 MAP2 0.0097
6139 Solute carrier organic anion transporter family member 1A2 SLCO1A2 0.0097
3811 Cytochrome P450 19A1 CYP19A1 0.0097
4924 Cytochrome P450 2C8 CYP2C8 0.0079
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0078
373 Transthyretin TTR 0.0077
4200 Cytochrome P450 1A2 CYP1A2 0.0073
4757 Cytochrome P450 2C9 CYP2C9 0.0068
6020 Aldehyde oxidase AOX1 0.0062
992 Protein tyrosine kinase 2 beta PTK2B 0.0062
6030 Cytochrome P450 2B6 CYP2B6 0.0054
6145 Solute carrier family 22 member 1 SLC22A1 0.0051
3809 Estrogen-related receptor gamma ESRRG 0.005
6241 Nuclear receptor coactivator 2 NCOA2 0.005
587 Serum albumin ALB 0.0047
5718 Cytochrome P450 2A6 CYP2A6 0.0038
3810 Catechol O-methyltransferase COMT 0.0037
817 DNA topoisomerase 2-alpha TOP2A 0.0036
6013 Cytochrome P450 2E1 CYP2E1 0.0034
862 Multidrug resistance-associated protein 1 ABCC1 0.0032
1898 Cytochrome P450 1B1 CYP1B1 0.0027
1192 Sulfotransferase 1A1 SULT1A1 0.0027
6104 Dimethylaniline monooxygenase [N-oxide-forming] 1 FMO1 0.0023
6024 Cytochrome P450 1A1 CYP1A1 0.0022
6085 Fatty acid-binding protein, intestinal FABP2 0.0021
6107 Cytochrome P450 3A7 CYP3A7 0.0021
4118 Cytochrome P450 3A5 CYP3A5 0.002
6025 UDP-glucuronosyltransferase 1-4 UGT1A4 0.002
6101 Dimethylaniline monooxygenase [N-oxide-forming] 3 FMO3 0.0019
6016 Cytochrome P450 2C19 CYP2C19 0.0019
4604 Liver carboxylesterase 1 CES1 0.0018
1284 Nuclear receptor subfamily 1 group I member 2 NR1I2 0.0017
6153 Solute carrier organic anion transporter family member 4A1 SLCO4A1 0.0016
776 Bile salt export pump ABCB11 0.0015
6158 Solute carrier organic anion transporter family member 1C1 SLCO1C1 0.0014
6148 Multidrug resistance-associated protein 7 ABCC10 0.0014
6157 Solute carrier organic anion transporter family member 1B3 SLCO1B3 0.0014
1632 Solute carrier organic anion transporter family member 2B1 SLCO2B1 0.0014
6022 UDP-glucuronosyltransferase 1-1 UGT1A1 0.0013
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0013
6147 Solute carrier family 22 member 3 SLC22A3 0.0013
1024 Solute carrier family 22 member 11 SLC22A11 0.0012
1490 Solute carrier organic anion transporter family member 1B1 SLCO1B1 0.0012
6144 Solute carrier family 22 member 2 SLC22A2 0.0011
6142 Solute carrier family 22 member 8 SLC22A8 0.0011
4119 Cytochrome P450 2D6 CYP2D6 0.001
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