Detailed information for compound 138048

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 261.704 | Formula: C14H12ClNO2
  • H donors: 1 H acceptors: 1 LogP: 3.27 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1O[C@](C)(C#CC2CC2)c2c(N1)ccc(c2)Cl
  • InChi: 1S/C14H12ClNO2/c1-14(7-6-9-2-3-9)11-8-10(15)4-5-12(11)16-13(17)18-14/h4-5,8-9H,2-3H2,1H3,(H,16,17)/t14-/m0/s1
  • InChiKey: IATBHACGYUTPII-AWEZNQCLSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

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
Leishmania major acetyl-CoA synthetase, putative 0.007 0.0025 0.1467
Echinococcus multilocularis thymidine phosphorylase 1.1582 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0112 0.0062 0.5224
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.007 0.0025 0.0025
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0237 0.017 0.0607
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0065 0.0021 0.5
Schistosoma mansoni microtubule-associated protein tau 0.3123 0.2671 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.3269 0.2797 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0237 0.017 0.5833
Brugia malayi AMP-binding enzyme family protein 0.007 0.0025 0.0139
Trypanosoma brucei PAB1-binding protein , putative 0.0112 0.0062 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0065 0.0021 0.3442
Schistosoma mansoni hypothetical protein 0.0124 0.0072 0.0269
Mycobacterium ulcerans hypothetical protein 0.0237 0.017 0.017
Trypanosoma brucei acetyl-CoA synthetase, putative 0.007 0.0025 0.4043
Loa Loa (eye worm) AMP-binding enzyme family protein 0.007 0.0025 0.0139
Brugia malayi hypothetical protein 0.2114 0.1796 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Brugia malayi hypothetical protein 0.0072 0.0027 0.0152
Leishmania major cathepsin L-like protease 0.0067 0.0023 0.1341
Leishmania major hypothetical protein, conserved 0.0112 0.0062 0.3628
Trypanosoma cruzi PAB1-binding protein , putative 0.0112 0.0062 1
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.007 0.0025 0.0089
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.007 0.0025 0.0025
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.007 0.0025 0.4043
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.007 0.0025 0.0025
Leishmania major cathepsin L-like protease 0.0067 0.0023 0.1341
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0237 0.017 0.017
Echinococcus multilocularis thyroid hormone receptor alpha 0.0305 0.0229 0.0229
Loa Loa (eye worm) MH2 domain-containing protein 0.027 0.0198 0.1105
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.007 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0177 0.0118 0.0657
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Plasmodium vivax replication factor C subunit 1, putative 0.0065 0.0021 0.1798
Mycobacterium ulcerans acyl-CoA synthetase 0.0237 0.017 0.017
Mycobacterium ulcerans thymidine phosphorylase 1.1582 1 1
Echinococcus granulosus GPCR family 2 0.0124 0.0072 0.0072
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0167 0.011 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0021 0.3442
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0431 0.0338 0.1883
Loa Loa (eye worm) hypothetical protein 0.0237 0.017 0.0946
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0177 0.0118 1
Entamoeba histolytica hypothetical protein 0.0359 0.0276 1
Echinococcus granulosus survival motor neuron protein 1 0.2114 0.1796 0.1796
Onchocerca volvulus 0.0065 0.0021 0.0619
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 0.0025 0.0139
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0167 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0021 0.8515
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0025 0.0025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0025 0.0025
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.3269 0.2797 0.2797
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.007 0.0025 0.0025
Schistosoma mansoni topbp1 0.0065 0.0021 0.0079
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.007 0.0025 0.0089
Schistosoma mansoni hypothetical protein 0.0359 0.0276 0.1034
Trichomonas vaginalis replication factor C large subunit, putative 0.0065 0.0021 0.8515
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0283 0.021 0.021
Schistosoma mansoni thyroid hormone receptor 0.0305 0.0229 0.0859
Loa Loa (eye worm) transcription factor SMAD2 0.027 0.0198 0.1105
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0124 0.0072 0.0072
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.0018 0.2879
Schistosoma mansoni acetyl-CoA synthetase 0.007 0.0025 0.0093
Plasmodium falciparum ataxin-2 like protein, putative 0.0112 0.0062 0.4176
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0065 0.0021 0.3442
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.007 0.0025 0.0025
Onchocerca volvulus 0.0431 0.0338 0.9866
Loa Loa (eye worm) hypothetical protein 0.0065 0.0021 0.0118
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.005 0.0008 0.0008
Brugia malayi hypothetical protein 0.0065 0.0021 0.0118
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.007 0.0025 0.1467
Giardia lamblia Replication factor C, subunit 1 0.0065 0.0021 0.5
Echinococcus multilocularis microtubule associated protein 2 0.3123 0.2671 0.2671
Entamoeba histolytica hypothetical protein 0.0359 0.0276 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0391 0.0303 0.1689
Brugia malayi Latrophilin receptor protein 2 0.0124 0.0072 0.04
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.007 0.0025 0.0025
Onchocerca volvulus 0.007 0.0025 0.0727
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Brugia malayi AMP-binding enzyme family protein 0.007 0.0025 0.0139
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.007 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0177 0.0118 0.0657
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.007 0.0025 0.4043
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0021 0.3442
Echinococcus multilocularis tumor protein p63 0.2982 0.2548 0.2548
Loa Loa (eye worm) hypothetical protein 0.007 0.0025 0.0139
Loa Loa (eye worm) hypothetical protein 0.0237 0.017 0.0946
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0237 0.017 0.017
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0023 0.3697
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Brugia malayi hypothetical protein 0.0359 0.0276 0.1537
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0167 0.011 0.011
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.005 0.0008 0.0008
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0359 0.0276 0.0276
Brugia malayi latrophilin 2 splice variant baaae 0.0267 0.0196 0.1092
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0177 0.0118 0.0118
Trypanosoma cruzi FHA domain containing protein, putative 0.0065 0.0021 0.3442
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.001 0.1679
Brugia malayi Pax transcription activation domain interacting protein 0.0065 0.0021 0.0118
Leishmania major cathepsin L-like protease 0.0067 0.0023 0.1341
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.007 0.0025 0.0025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0124 0.0072 0.0072
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.007 0.0025 0.4043
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0065 0.0021 0.8515
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.019 0.019
Echinococcus granulosus microtubule associated protein 2 0.3123 0.2671 0.2671
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0359 0.0276 0.0276
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.007 0.0025 0.4043
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0021 0.8515
Schistosoma mansoni hypothetical protein 0.0267 0.0196 0.0735
Leishmania major 4-coumarate:coa ligase-like protein 0.0237 0.017 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0177 0.0118 0.0118
Brugia malayi AMP-binding enzyme family protein 0.0237 0.017 0.0946
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.007 0.0025 0.0025
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0237 0.017 0.017
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0237 0.017 0.017
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 1.1582 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0177 0.0118 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0391 0.0303 0.1689
Echinococcus multilocularis nibrin 0.0065 0.0021 0.0021
Schistosoma mansoni DNA ligase IV 0.0065 0.0021 0.0079
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0065 0.0021 0.0118
Loa Loa (eye worm) AMP-binding enzyme family protein 0.007 0.0025 0.0139
Brugia malayi AMP-binding enzyme family protein 0.007 0.0025 0.0139
Loa Loa (eye worm) hypothetical protein 0.0267 0.0196 0.1092
Loa Loa (eye worm) oxidoreductase 0.007 0.0025 0.0139
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.007 0.0025 0.0145
Toxoplasma gondii ATPase, AAA family protein 0.0065 0.0021 0.3442
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0065 0.0021 0.0021
Schistosoma mansoni thyroid hormone receptor 0.0305 0.0229 0.0859
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Entamoeba histolytica acyl-coA synthetase, putative 0.0237 0.017 0.5833
Schistosoma mansoni cellular tumor antigen P53 0.0436 0.0343 0.1284
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.007 0.0025 0.0139
Brugia malayi topoisomerase 0.0065 0.0021 0.0118
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0391 0.0303 0.1689
Brugia malayi acetyl-Coenzyme A synthetase 2 0.007 0.0025 0.0139
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.007 0.0025 0.4043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Brugia malayi AMP-binding enzyme family protein 0.0237 0.017 0.0946
Toxoplasma gondii propionate-CoA ligase 0.007 0.0025 0.4043
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0065 0.0021 0.8515
Onchocerca volvulus 0.0237 0.017 0.4955
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.007 0.0025 0.4043
Entamoeba histolytica acyl-CoA synthetase, putative 0.0237 0.017 0.5833
Brugia malayi hypothetical protein 0.0065 0.0021 0.0118
Plasmodium falciparum acetyl-CoA synthetase, putative 0.007 0.0025 0.0382
Brugia malayi AMP-binding enzyme family protein 0.0237 0.017 0.0946
Mycobacterium ulcerans acetyl-CoA synthetase 0.007 0.0025 0.0025
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0065 0.0021 0.3442
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0065 0.0021 0.0076
Trypanosoma cruzi PAB1-binding protein , putative 0.0112 0.0062 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0023 0.3697
Echinococcus granulosus tumor protein p63 0.2982 0.2548 0.2548
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0065 0.0021 0.8515
Onchocerca volvulus 0.007 0.0025 0.0727
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Echinococcus multilocularis GPCR, family 2 0.0124 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0177 0.0118 0.0657
Leishmania major 4-coumarate:coa ligase-like protein 0.0237 0.017 1
Echinococcus multilocularis survival motor neuron protein 1 0.2114 0.1796 0.1796
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.007 0.0025 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0021 0.8515
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.3269 0.2797 0.2797
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.007 0.0025 0.0025
Plasmodium vivax acetyl-CoA synthetase, putative 0.007 0.0025 0.2112
Trichomonas vaginalis antibiotic synthetase, putative 0.007 0.0025 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0025 0.0025
Onchocerca volvulus 0.007 0.0025 0.0727
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0283 0.021 0.021
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0237 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0177 0.0118 0.0657
Schistosoma mansoni hypothetical protein 0.0283 0.021 0.0785
Onchocerca volvulus 0.007 0.0025 0.0727
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.007 0.0025 0.0025
Schistosoma mansoni survival motor neuron protein 0.0431 0.0338 0.1266
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Loa Loa (eye worm) hypothetical protein 0.0065 0.0021 0.0118
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0237 0.017 0.0607
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0023 0.3697
Loa Loa (eye worm) hypothetical protein 0.0065 0.0021 0.0118
Brugia malayi DKFZp564C0469 protein 0.0065 0.0021 0.0118
Schistosoma mansoni hypothetical protein 0.0124 0.0072 0.0269
Entamoeba histolytica hypothetical protein 0.0359 0.0276 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0167 0.011 0.011
Leishmania major acetyl-CoA synthetase, putative 0.007 0.0025 0.1467
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.007 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0021 0.8515
Brugia malayi hypothetical protein 0.0112 0.0062 0.0343
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0023 0.3697
Loa Loa (eye worm) hypothetical protein 0.0124 0.0072 0.04
Loa Loa (eye worm) hypothetical protein 0.0065 0.0021 0.0118
Mycobacterium ulcerans acyl-CoA synthetase 0.0237 0.017 0.017
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0124 0.0072 0.04
Trichomonas vaginalis antibiotic synthetase, putative 0.007 0.0025 1
Brugia malayi AMP-binding enzyme family protein 0.007 0.0025 0.0139
Toxoplasma gondii LsmAD domain-containing protein 0.0112 0.0062 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0112 0.0062 0.4176
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.0023 0.3697
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.007 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0021 0.8515
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.007 0.0025 0.4043
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.007 0.0025 0.0025
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.006 0.0017 0.0017
Treponema pallidum DNA ligase (lig) 0.0065 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.005 0.0008 0.0031
Loa Loa (eye worm) hypothetical protein 0.2114 0.1796 1
Schistosoma mansoni hypothetical protein 0.0124 0.0072 0.0269
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0391 0.0303 0.1689
Loa Loa (eye worm) hypothetical protein 0.0237 0.017 0.0946
Loa Loa (eye worm) latrophilin receptor protein 2 0.0124 0.0072 0.04
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0124 0.0072 0.0072
Schistosoma mansoni transcription factor LCR-F1 0.0359 0.0276 0.1034
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0124 0.0072 0.0072
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.007 0.0025 0.0025
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0124 0.0072 0.0269
Schistosoma mansoni topbp1 0.0065 0.0021 0.0079
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0025 0.0025
Echinococcus multilocularis replication factor c subunit 1 0.0065 0.0021 0.0021
Onchocerca volvulus 0.0436 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0021 0.0118
Loa Loa (eye worm) hypothetical protein 0.0112 0.0062 0.0343
Loa Loa (eye worm) hypothetical protein 0.0177 0.0118 0.0657
Entamoeba histolytica hypothetical protein 0.0359 0.0276 1
Loa Loa (eye worm) hypothetical protein 0.0436 0.0343 0.1909
Mycobacterium ulcerans acyl-CoA synthetase 0.0237 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0065 0.0021 0.0118
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0065 0.0021 0.8515
Brugia malayi MH2 domain containing protein 0.027 0.0198 0.1105
Plasmodium falciparum acyl-CoA synthetase 0.0177 0.0118 1
Echinococcus granulosus replication factor c subunit 1 0.0065 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0431 0.0338 0.1266
Leishmania major 4-coumarate:coa ligase-like protein 0.0237 0.017 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.007 0.0025 0.0025
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0237 0.017 0.017
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Schistosoma mansoni chromosome transmission fidelity factor 0.0065 0.0021 0.0079
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0025 0.0025
Echinococcus granulosus nibrin 0.0065 0.0021 0.0021

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.004 uM Anti-HIV-1 activity against WTIIIB HIV-1 strain in MT-4 cells ChEMBL. 11472208
EC50 (functional) = 0.025 uM Anti-HIV-1 activity against Y181C HIV-1 strain in MT-4 cells ChEMBL. 11472208
Fold resistance (functional) = 6 Y181C/WTIIIB ratio of the compound ChEMBL. 11472208

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.

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