Detailed information for compound 32276

Basic information

Technical information
  • TDR Targets ID: 32276
  • Name: 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro- 1H-carbazol-4-one
  • MW: 279.336 | Formula: C17H17N3O
  • H donors: 0 H acceptors: 2 LogP: 1.89 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(CCc2c1c1ccccc1n2C)Cn1cncc1
  • InChi: 1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3
  • InChiKey: KPSGSRBENRBWPG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-imidazolylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one
  • Maybridge3_000897
  • IDI1_012284

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0058 0.0242 0.0242
Mycobacterium leprae Probable oxidoreductase 0.0024 0 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0031 0.0055 0.0055
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0087 0.0444 0.1376
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.051 0.3391 0.4263
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0257 0.1624 1
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Brugia malayi excitatory GABA receptor EXP-1A 0.0058 0.0242 0.0242
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0083 0.0417 0.1294
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0058 0.0242 0.0242
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0444 0.1376
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0058 0.0242 0.0751
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Mycobacterium ulcerans short-chain dehydrogenase 0.0024 0 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0058 0.0242 0.0305
Brugia malayi Cation transporter family protein 0.0141 0.082 0.082
Schistosoma mansoni nAChR subunit 0.0027 0.0023 0.0072
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0024 0 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0024 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Brugia malayi Cation transporter family protein 0.0058 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Toxoplasma gondii 6,7-dihydropteridine reductase 0.0487 0.3226 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Onchocerca volvulus 0.0027 0.0023 0.0143
Mycobacterium tuberculosis Possible oxidoreductase 0.0024 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0031 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Onchocerca volvulus 0.0032 0.0061 0.0375
Echinococcus multilocularis glycine receptor subunit beta 0.0058 0.0242 0.0751
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Schistosoma mansoni nAChR subunit 0.0027 0.0023 0.0072
Mycobacterium ulcerans short-chain dehydrogenase 0.0024 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0058 0.0242 0.0751
Brugia malayi hypothetical protein 0.0027 0.0023 0.0023
Brugia malayi hypothetical protein 0.0027 0.0023 0.0023
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0027 0.0023 0.0072
Trypanosoma brucei C-8 sterol isomerase, putative 0.1165 0.7953 1
Onchocerca volvulus 0.0257 0.1624 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Loa Loa (eye worm) hypothetical protein 0.1165 0.7953 1
Brugia malayi Pre-SET motif family protein 0.0032 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Loa Loa (eye worm) GABA receptor subunit 0.0031 0.0055 0.0069
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Giardia lamblia Short-chain dehydrogenase, putative 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Mycobacterium ulcerans short-chain dehydrogenase 0.0024 0 0.5
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0031 0.0055 0.0055
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0058 0.0242 0.0751
Brugia malayi Cation transporter family protein 0.0058 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0141 0.082 0.1031
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Echinococcus multilocularis nAChR subunit 0.0058 0.0242 0.0751
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0595 0.3985 0.501
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0027 0.0023 0.0072
Mycobacterium ulcerans dehydrogenase/reductase 0.0024 0 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0024 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0058 0.0242 0.0751
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Mycobacterium ulcerans ketoacyl reductase 0.0024 0 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0058 0.0242 0.0305
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0058 0.0242 0.0751
Echinococcus multilocularis glycine receptor subunit beta 0.0058 0.0242 0.0751
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Loa Loa (eye worm) hypothetical protein 0.0087 0.0444 0.0558
Schistosoma mansoni neurotransmitter gated ion channel 0.0027 0.0023 0.0072
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0058 0.0242 0.0751
Giardia lamblia Hypothetical protein 0.0024 0 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0024 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus granulosus potassium voltage gated channel protein 0.0087 0.0444 0.1376
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Leishmania major C-8 sterol isomerase-like protein 0.1165 0.7953 1
Onchocerca volvulus 0.0031 0.0055 0.0337
Schistosoma mansoni acetylcholine receptor subunit beta 0.0027 0.0023 0.0072
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0027 0.0023 0.0029
Giardia lamblia Reductase, putative 0.0024 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Onchocerca volvulus 0.0058 0.0242 0.1492
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0058 0.0242 0.0751
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0027 0.0023 0.0029
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Onchocerca volvulus 0.0141 0.082 0.5047
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0058 0.0242 0.0242
Brugia malayi hypothetical protein 0.0027 0.0023 0.0023
Echinococcus granulosus glycine receptor subunit beta 0.0058 0.0242 0.0751
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0024 0 0.5
Schistosoma mansoni acetylcholine receptor-related 0.0027 0.0023 0.0072
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0061 0.0077
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0023 0.0023
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0024 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0242 0.0242
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0 0.5
Onchocerca volvulus 0.0027 0.0023 0.0143
Mycobacterium tuberculosis Probable dehydrogenase 0.0024 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0058 0.0242 0.0751
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0058 0.0242 0.0242
Entamoeba histolytica hypothetical protein 0.0031 0.0055 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0058 0.0242 0.0751
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0058 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0444 0.1376
Echinococcus granulosus glycine receptor subunit alpha 1 0.0058 0.0242 0.0751
Mycobacterium ulcerans ketoacyl reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0031 0.0055 0.0169
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.1407 0.1769
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Onchocerca volvulus 0.0141 0.082 0.5047
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0024 0 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0024 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0061 0.0189
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0023 0.0023
Onchocerca volvulus 0.0031 0.0055 0.0337
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0058 0.0242 0.0751
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0058 0.0242 0.0751
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0061 0.0189
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus granulosus NADP binding domain 0.0487 0.3226 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0141 0.082 0.254
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0242 0.0242
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0058 0.0242 0.0242
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Loa Loa (eye worm) ACC-1 protein 0.0058 0.0242 0.0305
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0058 0.0242 0.0751
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0027 0.0023 0.0023
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0058 0.0242 0.0751
Mycobacterium ulcerans oxidoreductase 0.0024 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0069
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0061 0.0189
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0058 0.0242 0.0751
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus granulosus glycine receptor subunit beta 0.0058 0.0242 0.0751
Mycobacterium ulcerans short-chain type oxidoreductase 0.0024 0 0.5
Brugia malayi Pre-SET motif family protein 0.0225 0.1407 0.1407
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0027 0.0023 0.0072
Loa Loa (eye worm) ACC-1 protein 0.0058 0.0242 0.0305
Plasmodium vivax SET domain protein, putative 0.0032 0.0061 1
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0242 0.0242
Mycobacterium ulcerans dehydrogenase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0058 0.0242 0.0751
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0031 0.0055 0.0055
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0141 0.082 0.254
Brugia malayi dihydropteridine reductase-like 0.0487 0.3226 0.3226
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0031 0.0055 0.0169
Schistosoma mansoni neurotransmitter gated ion channel 0.0027 0.0023 0.0072
Schistosoma mansoni neurotransmitter gated ion channel 0.0031 0.0055 0.0169
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0058 0.0242 0.0242
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0061 0.0189
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Loa Loa (eye worm) LGC-31 protein 0.0058 0.0242 0.0305
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0027 0.0023 0.0072
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Echinococcus granulosus nAChR subunit 0.0031 0.0055 0.0169
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0058 0.0242 0.0305
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.0632 0.0795
Loa Loa (eye worm) hypothetical protein 0.0141 0.082 0.1031
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0058 0.0242 0.0751
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0058 0.0242 0.0305
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0058 0.0242 0.0751
Onchocerca volvulus 0.0058 0.0242 0.1492
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.051 0.3391 0.4263
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0027 0.0023 0.0023
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0058 0.0242 0.0751
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0058 0.0242 0.0305
Echinococcus multilocularis nAChR subunit 0.0031 0.0055 0.0169
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0024 0 0.5
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0087 0.0444 0.0444
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1165 0.7953 0.7953
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0024 0 0.5
Brugia malayi hypothetical protein 0.0027 0.0023 0.0023
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0023 0.0023
Onchocerca volvulus 0.0141 0.082 0.5047
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0058 0.0242 0.0751
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Echinococcus multilocularis potassium voltage gated channel protein 0.0087 0.0444 0.1376
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0023 0.0029
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0061 0.0189
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0058 0.0242 0.0751
Onchocerca volvulus 0.0058 0.0242 0.1492
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0061 0.0189
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0058 0.0242 0.0751
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0061 0.0189
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0027 0.0023 0.0023
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0058 0.0242 0.0305
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0053 0.0163
Loa Loa (eye worm) dihydropteridine reductase-PC 0.0487 0.3226 0.4057
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0058 0.0242 0.0242
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0024 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0024 0 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0024 0 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0024 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0058 0.0242 0.0751
Onchocerca volvulus 0.0027 0.0023 0.0143
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0058 0.0242 0.0751
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0024 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0058 0.0242 0.0751
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0024 0 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0061 0.0189
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0024 0 0.5
Schistosoma mansoni nAChR subunit 0.0058 0.0242 0.0751
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0 0.5
Brugia malayi hypothetical protein 0.0027 0.0023 0.0023
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1165 0.7953 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0242 0.0305
Onchocerca volvulus Putative nachr subunit 0.0058 0.0242 0.1492
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0058 0.0242 0.0242
Plasmodium falciparum steroid dehydrogenase, putative 0.0024 0 0.5
Loa Loa (eye worm) acetylcholine receptor protein 0.0027 0.0023 0.0029
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0024 0 0.5
Echinococcus granulosus nAChR subunit 0.0058 0.0242 0.0751
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0024 0 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0024 0 0.5
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0027 0.0023 0.0072
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Echinococcus multilocularis NAD(P) binding domain 0.0487 0.3226 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0058 0.0242 0.0242
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0242 0.0242
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0 0.5
Schistosoma mansoni dihydropteridine reductase 0.0487 0.3226 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.000000046 M Inhibiton of [3H]-BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor ChEMBL. 8176710
Increase (functional) < 44.2 % The compound was evaluated for the percentage increase in gastric emptying for a dose of 1 mg/kg perorally in rat ChEMBL. 8176710
Inhibition (functional) = 62.3 % The compound was evaluated for the percentage inhibition in guinea pig ileum stimulated with 10 microM 5-HT and tested at fixed concentration of 10 microM ChEMBL. 8176710
Inhibition (functional) = 2.8 ug kg-1 In vivo 5-hydroxytryptamine 3 receptor antagonist activity of the compound was determined by antagonism of the von Bezold-Jarisch (B-J) reflex in anesthetized rats, (i.v.) ChEMBL. No reference
Log EC50 (functional) 0 5-hydroxytryptamine 4 receptor agonist activity of the compound was determined in the rat esophageal muscularis mucosae; Not tested ChEMBL. No reference
Log Ki (binding) = 8.5 Binding affinity of the compound to 5-hydroxytryptamine 3 receptor was determined in rat cerebro cortical membranes using [3H]-quipazine. ChEMBL. No reference
pA2 (functional) = 6.9 The compound was evaluated for the pA2 value that was estimated using 2-methyl-5-HT in five to seven different tissues in guinea pig ileum ChEMBL. 8176710

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.