DT-Web

DB02615 - Compound 19


Identification
Name Compound 19
Accession Number DB02615 (EXPT00338, EXPT00478)
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 463.588
Groups experimental
Monoisotopic Weight 463.181729111
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


Tyrosine-protein phosphatase non-receptor type 1
Name Tyrosine-protein phosphatase non-receptor type 1
Gene Name PTPN1
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
DTHybrid score 1.8692
Estrogen receptor
Name Estrogen receptor
Gene Name ESR1
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
DTHybrid score 0.6961

Predictions


Id Partner name Gene Name Score
6241 Nuclear receptor coactivator 2 NCOA2 0.2306
869 Estrogen receptor beta ESR2 0.0805
614 Progesterone receptor PGR 0.063
4512 Cytochrome P450 3A4 CYP3A4 0.038
3811 Cytochrome P450 19A1 CYP19A1 0.0258
256 Tyrosyl-tRNA synthetase, cytoplasmic YARS 0.0227
6057 V-type proton ATPase catalytic subunit A ATP6V1A 0.0193
1588 Multidrug resistance protein 1 ABCB1 0.0187
4757 Cytochrome P450 2C9 CYP2C9 0.0181
66 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type II HSD3B2 0.0149
756 Sex hormone-binding globulin SHBG 0.0139
6228 Nuclear receptor coactivator 1 NCOA1 0.0122
146 Androgen receptor AR 0.0115
4200 Cytochrome P450 1A2 CYP1A2 0.0115
4924 Cytochrome P450 2C8 CYP2C8 0.0109
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0097
6024 Cytochrome P450 1A1 CYP1A1 0.0094
381 Prolactin receptor PRLR 0.0093
6139 Solute carrier organic anion transporter family member 1A2 SLCO1A2 0.0092
57 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type I HSD3B1 0.0083
3105 M-phase inducer phosphatase 2 CDC25B 0.0076
2107 Microtubule-associated protein 1A MAP1A 0.0075
6030 Cytochrome P450 2B6 CYP2B6 0.0074
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0062
596 3-oxo-5-alpha-steroid 4-dehydrogenase 1 SRD5A1 0.0057
1852 Microtubule-associated protein 2 MAP2 0.0056
6141 Sodium/bile acid cotransporter SLC10A1 0.0055
6016 Cytochrome P450 2C19 CYP2C19 0.0054
587 Serum albumin ALB 0.0052
1898 Cytochrome P450 1B1 CYP1B1 0.005
5718 Cytochrome P450 2A6 CYP2A6 0.005
4340 Hypothetical conserved protein GK2698 0.0049
6484 Hypothetical conserved protein TT_C0834 0.0049
4341 Beta crystallin B1 CRYBB1 0.0049
4336 Glyceraldehyde 3-phosphate dehydrogenase Not Available 0.0049
4436 Glyceraldehyde 3-phosphate dehydrogenase tthHB8IM 0.0049
1434 Protein DJ-1 PARK7 0.0049
4339 Sucrose phosphorylase sucP 0.0049
6013 Cytochrome P450 2E1 CYP2E1 0.0047
1649 Small inducible cytokine A2 CCL2 0.0046
5366 Sugar-phosphate isomerase TM_1080 0.0046
5367 Peroxiredoxin prx 0.0046
5369 Golgi-associated plant pathogenesis-related protein 1 GLIPR2 0.0046
4037 Hypothetical protein GPX1 0.0046
4297 Hypothetical protein SP_1951 0.0046
4521 Hypothetical protein BC_2969 0.0046
4540 Hypothetical protein TM_1070 0.0046
4555 Hypothetical protein MT1739 0.0046
4569 Hypothetical protein mshD 0.0046
4578 Hypothetical protein PA3270 0.0046
4747 Hypothetical protein PA3967 0.0046
5177 Hypothetical protein TM_0096 0.0046
5194 Hypothetical protein PA1204 0.0046
5240 Hypothetical protein Rv2991 0.0046
5370 Hypothetical protein TM_1158 0.0046
5710 Hypothetical protein Tb927.5.1360 0.0046
4699 Methylaspartate ammonia-lyase Not Available 0.0046
5365 Metallo beta-lactamase blaVIM-2 0.0046
1284 Nuclear receptor subfamily 1 group I member 2 NR1I2 0.0045
776 Bile salt export pump ABCB11 0.0045
2688 Peptide deformylase def 0.0043
2708 Peptide deformylase def 0.0043
3004 Peptide deformylase def 0.0043
4337 Peptide deformylase def 0.0043
4338 Peptide deformylase def 0.0043
5368 Peptide deformylase def 0.0043
5371 Peptide deformylase def 0.0043
6375 Peptide deformylase def 0.0043
6378 Peptide deformylase def 0.0043
6379 Peptide deformylase def 0.0043
6776 Peptide deformylase def 0.0043
6900 Peptide deformylase def 0.0043
3421 Hydroxyethylthiazole kinase thiM 0.0043
871 Glucocorticoid receptor NR3C1 0.0041
373 Transthyretin TTR 0.004
226 Gonadotropin-releasing hormone receptor GNRHR 0.004
3596 Deoxynucleotide monophosphate kinase 1 0.004
3858 Cathepsin L CTSL1 0.004
4343 Alpha-glucosidase aglA 0.0039
6145 Solute carrier family 22 member 1 SLC22A1 0.0037
4210 Toll-like receptor 4 TLR4 0.0036
6020 Aldehyde oxidase AOX1 0.0035
2664 S-ribosylhomocysteine lyase luxS 0.0035
2725 S-ribosylhomocysteine lyase luxS 0.0035
2840 Beta-lactamase IMP-1 Not Available 0.0034
862 Multidrug resistance-associated protein 1 ABCC1 0.0034
992 Protein tyrosine kinase 2 beta PTK2B 0.0033
1291 cAMP response element-binding protein CREB1 0.0033
2385 Penicillin acylase Not Available 0.0032
3873 Prolyl endopeptidase PREP 0.0032
6928 Prolyl endopeptidase Not Available 0.0032
3810 Catechol O-methyltransferase COMT 0.0031
1632 Solute carrier organic anion transporter family member 2B1 SLCO2B1 0.0031
615 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.003
3138 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.003
4568 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.003
6370 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.003
4118 Cytochrome P450 3A5 CYP3A5 0.0028
6017 Cholesterol side-chain cleavage enzyme, mitochondrial CYP11A1 0.0027
3809 Estrogen-related receptor gamma ESRRG 0.0027
1490 Solute carrier organic anion transporter family member 1B1 SLCO1B1 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
6142 Solute carrier family 22 member 8 SLC22A8 0.0023
571 Melatonin receptor type 1A MTNR1A 0.0021
362 Melatonin receptor type 1B MTNR1B 0.0021
765 Indoleamine 2,3-dioxygenase IDO1 0.002
817 DNA topoisomerase 2-alpha TOP2A 0.002
6153 Solute carrier organic anion transporter family member 4A1 SLCO4A1 0.002
696 Kappa-type opioid receptor OPRK1 0.002
467 Delta-type opioid receptor OPRD1 0.002
6107 Cytochrome P450 3A7 CYP3A7 0.0019
847 Mu-type opioid receptor OPRM1 0.0019
2240 Cell division protein kinase 2 CDK2 0.0018
6158 Solute carrier organic anion transporter family member 1C1 SLCO1C1 0.0018
6147 Solute carrier family 22 member 3 SLC22A3 0.0017
6157 Solute carrier organic anion transporter family member 1B3 SLCO1B3 0.0017
243 Ribosyldihydronicotinamide dehydrogenase [quinone] NQO2 0.0016
468 Cytochrome P450 4A11 CYP4A11 0.0016
1024 Solute carrier family 22 member 11 SLC22A11 0.0015
6144 Solute carrier family 22 member 2 SLC22A2 0.0015
1192 Sulfotransferase 1A1 SULT1A1 0.0015
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
6104 Dimethylaniline monooxygenase [N-oxide-forming] 1 FMO1 0.0013
737 Mineralocorticoid receptor NR3C2 0.0012
6155 ATP-binding cassette transporter sub-family C member 11 ABCC11 0.0012
4119 Cytochrome P450 2D6 CYP2D6 0.0012
6085 Fatty acid-binding protein, intestinal FABP2 0.0011
6025 UDP-glucuronosyltransferase 1-4 UGT1A4 0.0011
6160 Solute carrier organic anion transporter family member 3A1 SLCO3A1 0.0011
6101 Dimethylaniline monooxygenase [N-oxide-forming] 3 FMO3 0.0011
4604 Liver carboxylesterase 1 CES1 0.001
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.0009
6148 Multidrug resistance-associated protein 7 ABCC10 0.0008
2164 Multidrug resistance-associated protein 4 ABCC4 0.0008
6022 UDP-glucuronosyltransferase 1-1 UGT1A1 0.0007
1729 Solute carrier family 22 member 6 SLC22A6 0.0007
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