DT-Web

DB03005 - 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium


Identification
Name 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium
Accession Number DB03005 (EXPT03147)
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 661.8603
Groups experimental
Monoisotopic Weight 661.37671848
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


Acetylcholinesterase
Name Acetylcholinesterase
Gene Name ACHE
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 0.9874

Predictions


Id Partner name Gene Name Score
3923 Cholinesterase BCHE 0.1121
5259 Transcriptional regulator ntrC1 0.0327
6699 Transcriptional regulator Cgl2612 0.0327
4264 Alpha-L-fucosidase, putative TM_0306 0.0278
813 Neuronal acetylcholine receptor subunit alpha-2 CHRNA2 0.0241
6794 Uncharacterized lipoprotein ybbD ybbD 0.0213
2662 Glutamate racemase murI 0.0213
6299 Glutamate racemase murI 0.0213
6641 Glutamate racemase murI 0.0213
6771 Glutamate racemase murI 0.0213
6892 Glutamate racemase murI 0.0213
6795 Phosphoenolpyruvate-protein phosphotransferase ptsP 0.0213
435 Kynureninase KYNU 0.0213
4654 Kynureninase kynU 0.0213
3454 Esterase estA 0.0212
4119 Cytochrome P450 2D6 CYP2D6 0.0158
2517 Subtilisin BPN' apr 0.0155
4512 Cytochrome P450 3A4 CYP3A4 0.014
1588 Multidrug resistance protein 1 ABCB1 0.0116
6145 Solute carrier family 22 member 1 SLC22A1 0.0105
3176 Trypsin-1 PRSS1 0.0086
617 Muscarinic acetylcholine receptor M2 CHRM2 0.0072
3626 Probable polysaccharide deacetylase pdaA pdaA 0.0071
118 Organic cation/carnitine transporter 2 SLC22A5 0.0066
502 5-hydroxytryptamine 2A receptor HTR2A 0.0065
131 Synaptic vesicular amine transporter SLC18A2 0.0065
2998 Sialic acid-binding Ig-like lectin 7 SIGLEC7 0.0064
4787 Envelope glycoprotein gp160 env 0.0059
4820 Envelope glycoprotein gp160 env 0.0059
5727 Envelope glycoprotein gp160 env 0.0059
1373 Glucosylceramidase GBA 0.0056
4666 Fucose-binding lectin PA-IIL lecB 0.0056
341 5-hydroxytryptamine 3 receptor HTR3A 0.0055
3140 Hemagglutinin-neuraminidase HN 0.0054
3609 Hemagglutinin-neuraminidase HN 0.0054
6144 Solute carrier family 22 member 2 SLC22A2 0.0053
144 Hemoglobin subunit alpha HBA1 0.0051
540 Sodium-dependent noradrenaline transporter SLC6A2 0.0048
556 Alpha-1A adrenergic receptor ADRA1A 0.0042
4200 Cytochrome P450 1A2 CYP1A2 0.0042
1178 Adenosine A2a receptor ADORA2A 0.004
4785 Ig gamma-1 chain C region IGHG1 0.0038
4757 Cytochrome P450 2C9 CYP2C9 0.0032
244 Angiotensin-converting enzyme ACE 0.0032
3811 Cytochrome P450 19A1 CYP19A1 0.003
4097 Neuronal acetylcholine receptor subunit alpha-9 CHRNA9 0.0029
6082 Neuronal acetylcholine receptor subunit beta-3 CHRNB3 0.0028
6080 Neuronal acetylcholine receptor subunit alpha-5 CHRNA5 0.0028
948 Neuronal acetylcholine receptor subunit beta-2 CHRNB2 0.0028
436 5-hydroxytryptamine 2B receptor HTR2B 0.0027
6081 Neuronal acetylcholine receptor subunit alpha-6 CHRNA6 0.0026
3941 Amine oxidase [flavin-containing] A MAOA 0.0026
590 5-hydroxytryptamine 2C receptor HTR2C 0.0024
6078 Neuronal acetylcholine receptor subunit beta-4 CHRNB4 0.0024
824 Sodium-dependent serotonin transporter SLC6A4 0.0024
23 D(1A) dopamine receptor DRD1 0.0023
6079 Neuronal acetylcholine receptor subunit alpha-3 CHRNA3 0.0022
831 D(2) dopamine receptor DRD2 0.0022
458 Neuronal acetylcholine receptor subunit alpha-10 CHRNA10 0.0022
3929 Phosphoethanolamine/phosphocholine phosphatase PHOSPHO1 0.0021
861 Choline kinase alpha CHKA 0.0021
549 Choline-phosphate cytidylyltransferase B PCYT1B 0.0021
700 Choline dehydrogenase, mitochondrial CHDH 0.0021
264 Choline/ethanolamine kinase [Includes: Choline kinase beta CHKB 0.0021
3933 Choline/ethanolaminephosphotransferase CEPT1 0.0021
1686 Choline transporter-like protein 1 SLC44A1 0.0021
3926 Choline transporter-like protein 2 SLC44A2 0.0021
576 Choline O-acetyltransferase CHAT 0.0021
769 High-affinity choline transporter 1 SLC5A7 0.0021
3922 Phospholipase D2 PLD2 0.0021
3927 Choline transporter-like protein 3 SLC44A3 0.0021
3924 Phospholipase D1 PLD1 0.0021
3925 Choline transporter-like protein 4 SLC44A4 0.0021
103 Muscarinic acetylcholine receptor M1 CHRM1 0.0021
677 Choline-phosphate cytidylyltransferase A PCYT1A 0.0019
5449 Hypothetical gliding protein mglB 0.0018
5443 UPF0189 protein ymdB ymdB 0.0018
5440 UPF0067 protein yebR yebR 0.0018
5439 33 kDa chaperonin hslO 0.0018
3781 Thiol:disulfide interchange protein dsbC precursor dsbC 0.0018
2720 Copper-containing nitrite reductase nirK 0.0018
4705 Manganese catalase Not Available 0.0018
332 Beta-lactamase blaZ 0.0018
2478 Beta-lactamase ampC 0.0018
2613 Beta-lactamase ampC 0.0018
2635 Beta-lactamase ampC 0.0018
2700 Beta-lactamase penP 0.0018
5445 Beta-lactamase blaB 0.0018
6019 Beta-lactamase SHV-7 0.0018
6701 Beta-lactamase cphA 0.0018
5448 Ribonuclease Z rnz 0.0018
5446 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase HI_1679 0.0018
5447 Lethal(3)malignant brain tumor-like protein L3MBTL1 0.0018
5454 Internalin-A inlA 0.0018
947 Neuronal acetylcholine receptor subunit alpha-4 CHRNA4 0.0017
4095 Neuronal acetylcholine receptor subunit alpha-7 CHRNA7 0.0017
4498 Ornithine cyclodeaminase PP3533 0.0017
5450 Prolyl endopeptidase Pep pep 0.0016
3356 Diaminopimelate decarboxylase lysA 0.0015
4771 Dissimilatory copper-containing nitrite reductase nir 0.0015
2714 Chorismate mutase aroH 0.0015
4611 Chorismate mutase aroG 0.0015
3274 Hydroxylamine reductase hcp 0.0015
4804 Hydroxylamine reductase hcp 0.0015
3736 Glyceraldehyde-3-phosphate dehydrogenase A gapA 0.0015
3462 Tyrosine-protein kinase transforming protein Abl ABL 0.0014
3399 Limonene-1,2-epoxide hydrolase limA 0.0014
3697 Bifunctional protein glmU [Includes: UDP-N-acetylglucosamine pyrophosphorylase glmU 0.0014
597 Dihydropteridine reductase QDPR 0.0014
5180 L(+)-mandelate dehydrogenase mdlB 0.0014
3500 Putative family 31 glucosidase yicI yicI 0.0014
4608 Putative cytochrome P450 SCO1207 0.0013
4963 Putative cytochrome P450 SCO2884 0.0013
6254 Putative cytochrome P450 SCO6998 0.0013
3480 Mannan endo-1,4-beta-mannosidase manA 0.0013
1615 Chymase CMA1 0.0013
577 Argininosuccinate lyase ASL 0.0013
2597 Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] glmS 0.0012
365 Dihydrofolate reductase DHFR 0.0012
2381 Dihydrofolate reductase DFR1 0.0012
2833 Dihydrofolate reductase Not Available 0.0012
2931 Dihydrofolate reductase folA 0.0012
3544 Dihydrofolate reductase folA 0.0012
3682 Dihydrofolate reductase folA 0.0012
6642 Dihydrofolate reductase folA 0.0012
6756 Dihydrofolate reductase dfrA 0.0012
287 Beta-1,4-galactosyltransferase 1 B4GALT1 0.0012
833 Organic cation/carnitine transporter 1 SLC22A4 0.0012
6147 Solute carrier family 22 member 3 SLC22A3 0.0011
364 Corticosteroid 11-beta-dehydrogenase isozyme 1 HSD11B1 0.001
904 Glutathione S-transferase P GSTP1 0.0009
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