Detailed information for compound 424980

Basic information

Technical information
  • TDR Targets ID: 424980
  • Name: (2R,3S,5R)-2,3-bis(4-fluorophenyl)-5-(hydroxy methyl)oxolan-3-ol
  • MW: 306.304 | Formula: C17H16F2O3
  • H donors: 2 H acceptors: 2 LogP: 1.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1O[C@@H]([C@@](C1)(O)c1ccc(cc1)F)c1ccc(cc1)F
  • InChi: 1S/C17H16F2O3/c18-13-5-1-11(2-6-13)16-17(21,9-15(10-20)22-16)12-3-7-14(19)8-4-12/h1-8,15-16,20-21H,9-10H2/t15-,16-,17+/m1/s1
  • InChiKey: PKQIINYYWQVQMM-ZACQAIPSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3S,5R)-2,3-bis(4-fluorophenyl)-5-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2R,3S,5R)-2,3-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-tetrahydrofuranol
  • (2R,3S,5R)-2,3-bis(4-fluorophenyl)-5-methylol-tetrahydrofuran-3-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References

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
Plasmodium vivax glutathione reductase, putative 0.0051 0.004 0.1722
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.001 0.0408
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.004 0.002
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0008 0.0335
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0062 0.1827
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.0339 1
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.0062 0.1578
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0062 0.1827
Brugia malayi hypothetical protein 0.0063 0.0062 0.1827
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0062 0.1827
Brugia malayi glutathione reductase 0.0051 0.004 0.1185
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0062 0.1827
Onchocerca volvulus 0.0063 0.0062 0.1578
Echinococcus multilocularis thymidylate synthase 0.0116 0.0152 0.6519
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0006 0.0247
Plasmodium falciparum glutathione reductase 0.0051 0.004 0.1722
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0062 0.1827
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Onchocerca volvulus 0.0032 0.0008 0.0199
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0085 0.0099 0.4246
Schistosoma mansoni dihydrofolate reductase 0.0047 0.0034 0.1447
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0065 0.0055
Echinococcus granulosus serotonin transporter 0.0163 0.0233 1
Plasmodium falciparum thioredoxin reductase 0.0051 0.004 0.1722
Loa Loa (eye worm) thymidylate synthase 0.0116 0.0152 0.4483
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0163 0.0233 0.6876
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0055 0.0047 0.2002
Leishmania major trypanothione reductase 0.0051 0.004 0.1696
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0085 0.0099 0.0089
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0184 0.027 0.4547
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0163 0.0233 1
Echinococcus granulosus thymidylate synthase 0.0116 0.0152 0.6519
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0085 0.0099 0.292
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0163 0.0233 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.001 0.0302
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0065 0.0045
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Onchocerca volvulus 0.0085 0.0099 0.2522
Loa Loa (eye worm) hypothetical protein 0.0163 0.0233 0.6876
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0062 0.1827
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Brugia malayi Thioredoxin reductase 0.0051 0.004 0.1185
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 0.0233 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Onchocerca volvulus 0.0034 0.001 0.0261
Echinococcus granulosus cysteinyl tRNA synthetase 0.0085 0.0099 0.4246
Echinococcus granulosus dihydrofolate reductase 0.0047 0.0034 0.1447
Brugia malayi Blistered cuticle protein 3 0.0063 0.0062 0.1827
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0116 0.0152 0.0132
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0034 0.001 0.0243
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0085 0.0099 1
Echinococcus granulosus peroxidasin 0.0063 0.0062 0.2657
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0062 0.1578
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0085 0.0099 0.2508
Loa Loa (eye worm) hypothetical protein 0.0163 0.0233 0.6876
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0001 0.0031
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0135 0.0185 0.0166
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0085 0.0099 0.4246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0335
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0001 0.0031
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0163 0.0233 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0034 0.001 0.0438
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0047 0.1189
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0034 0.001 0.0967
Echinococcus multilocularis peroxidasin 0.0063 0.0062 0.2657
Mycobacterium ulcerans glycosyltransferase 0.0039 0.002 0.001
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.0153 0.0133
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0163 0.0233 0.6876
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0065 0.2795
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0085 0.0099 0.4223
Giardia lamblia Cysteinyl-tRNA synthetase 0.0085 0.0099 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.0175 0.0156
Loa Loa (eye worm) serotonin transporter b 0.0163 0.0233 0.6876
Brugia malayi Pre-SET motif family protein 0.0032 0.0008 0.023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0335
Onchocerca volvulus Peroxidase homolog 0.0063 0.0062 0.1578
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.0175 0.0156
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.001 0.0408
Schistosoma mansoni peroxidasin 0.0063 0.0062 0.2657
Onchocerca volvulus 0.0063 0.0062 0.1578
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0047 0.0034 0.0024
Toxoplasma gondii thioredoxin reductase 0.0051 0.004 0.1722
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0184 0.027 0.026
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0153 0.0133
Brugia malayi hypothetical protein 0.0055 0.0047 0.1396
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0799 0.133 0.1313
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0008 0.0334
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0062 0.1827
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0085 0.0099 0.4223
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0008 0.0335
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0065 0.0055
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.004 0.1185
Onchocerca volvulus 0.0255 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Brugia malayi Pre-SET motif family protein 0.0224 0.0339 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0008 0.0335
Onchocerca volvulus 0.0116 0.0152 0.3873
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0085 0.0099 0.292
Mycobacterium tuberculosis Hypothetical protein 0.0055 0.0047 0.0028
Schistosoma mansoni peroxidasin 0.0063 0.0062 0.2657
Brugia malayi Dihydrofolate reductase 0.0047 0.0034 0.0995
Brugia malayi Peroxidasin 0.0063 0.0062 0.1827
Echinococcus multilocularis serotonin transporter 0.0163 0.0233 1
Chlamydia trachomatis dihydrofolate reductase 0.0047 0.0034 0.0708
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0065 0.2795
Plasmodium vivax SET domain protein, putative 0.0032 0.0008 0.0334
Onchocerca volvulus Peroxidase homolog 0.0063 0.0062 0.1578
Loa Loa (eye worm) dihydrofolate reductase 0.0047 0.0034 0.0995
Trichomonas vaginalis set domain proteins, putative 0.0255 0.0392 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0163 0.0233 1
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.001 0.0438
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.001 0.0302
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Loa Loa (eye worm) solute carrier family 6 member 4 0.0163 0.0233 0.6876
Echinococcus granulosus leucyl tRNA synthetase 0.0085 0.0099 0.4246
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0008 0.0335
Mycobacterium tuberculosis Probable reductase 0.0116 0.0153 0.0133
Brugia malayi dihydrofolate reductase family protein 0.0047 0.0034 0.0995
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0163 0.0233 1
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5825 1 1
Chlamydia trachomatis cysteine--tRNA ligase 0.0085 0.0099 0.2077
Plasmodium vivax cysteine--tRNA ligase, putative 0.0085 0.0099 0.4241
Mycobacterium ulcerans thymidylate synthase 0.0116 0.0152 0.0142
Onchocerca volvulus 0.0063 0.0062 0.1578
Plasmodium falciparum flap endonuclease 1 0.0028 0.0001 0.0031
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0065 0.0055
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.004 0.1696
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0047 0.0034 0.0014
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Echinococcus granulosus flap endonuclease 1 0.0028 0.0001 0.0031
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0304 0.0476 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0153 0.0133
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0065 0.2795
Brugia malayi Flap endonuclease-1 0.0028 0.0001 0.0021
Plasmodium falciparum cysteine--tRNA ligase 0.0085 0.0099 0.4241
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0116 0.0152 0.0132
Loa Loa (eye worm) norepinephrine transporter 0.0163 0.0233 0.6876
Onchocerca volvulus Dual oxidase homolog 0.0063 0.0062 0.1578
Onchocerca volvulus 0.0163 0.0233 0.594
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0335
Trypanosoma brucei trypanothione reductase 0.0051 0.004 0.1696
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0085 0.0099 0.4241
Brugia malayi thymidylate synthase 0.0116 0.0152 0.4483
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.0175 0.0156
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0085 0.0099 0.4223
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0065 0.2792
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0062 0.1827
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5825 1 1
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0085 0.0099 0.4246
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.004 0.1724
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.0062 0.1827
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.001 0.0408
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0062 0.1827
Loa Loa (eye worm) hypothetical protein 0.0032 0.0008 0.023
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0001 0.0021
Echinococcus multilocularis dihydrofolate reductase 0.0047 0.0034 0.1447
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0034 0.001 0.0438
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.001 0.0439
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0184 0.027 0.1393
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0001 0.0031
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0062 0.1578
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.004 0.1722
Loa Loa (eye worm) hypothetical protein 0.0085 0.0099 0.292
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0065 0.2795
Loa Loa (eye worm) glutathione reductase 0.0051 0.004 0.1185
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0799 0.133 0.1313
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0034 0.001 0.0439
Plasmodium falciparum cysteine--tRNA ligase 0.0085 0.0099 0.4241
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0799 0.133 0.1321
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0304 0.0476 1
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.001 0.0408
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0135 0.0185 0.0166
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.0175 0.0156
Loa Loa (eye worm) hypothetical protein 0.0063 0.0062 0.1827
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0116 0.0152 0.6519
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0163 0.0233 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0047 0.0034 0.0014
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.004 0.1724
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0799 0.133 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0034 0.001 0.0439
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0153 0.0133
Leishmania major cysteinyl-tRNA synthetase, putative 0.0085 0.0099 0.4223
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 0.0233 1
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0184 0.027 0.5679
Treponema pallidum sodium- and chloride- dependent transporter 0.0163 0.0233 0.3554
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.001 0.0967
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0065 0.2769
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.001 0.0439

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) < 4 Antitumor activity against human CCRF-CEM cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human K562 cells ChEMBL. 17446077
GI50 (functional) = 4 Antitumor activity against human MOLT4 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human RPMI8226 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SR cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human A549 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human EKVX cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human HOP62 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human NCI-H226 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human NCI-H23 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human NCI-H460 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human NCI-H522 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human COLO205 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human HCC2998 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human HCT15 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human HT29 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human KM12 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SW620 cells ChEMBL. 17446077
GI50 (functional) < 4 Antotumor activity against human SF268 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SF295 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SF539 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SNB19 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SNB75 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human U251 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human LOX IMVI cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human MALME-3M cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SK-MEL-28 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SK-MEL-5 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human UACC257 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human UACC62 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human OVCAR3 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human OVCAR4 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human OVCAR5 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human OVCAR8 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SK-OV-3 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human 786-0 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human A498 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human ACHN cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human CAKI-1 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human SN12C cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human TK10 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human UO31 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human PC3 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human DU145 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human MCF7 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human NCI/ADR-RES cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human MDA-MB-435 cells ChEMBL. 17446077
GI50 (functional) < 4 Antitumor activity against human BT549 cells ChEMBL. 17446077
GI50 (functional) = 4.04 Antitumor activity against human HCT116 cells ChEMBL. 17446077
GI50 (functional) = 4.18 Antitumor activity against human HOP92 cells ChEMBL. 17446077
GI50 (functional) = 4.23 Antitumor activity against human IGROV1 cells ChEMBL. 17446077
GI50 (functional) = 4.28 Antitumor activity against human RXF393 cells ChEMBL. 17446077
GI50 (functional) = 9.5 10'-5M Anticancer activity against human PC3 cells ChEMBL. 18262309
IC50 (binding) < 1 uM Inhibition of COX2 ChEMBL. 18262309
IC50 (binding) > 10 uM Inhibition of COX1 ChEMBL. 18262309
Inhibition (functional) = 13 % Growth inhibition of human HOP92 cells at 10 nM ChEMBL. 17446077
Inhibition (functional) = 13 % Growth inhibition of human HOP92 cells at 10 nM ChEMBL. 17446077
Inhibition (binding) = 22 % Inhibition of COX1 at 1 uM ChEMBL. 18262309
Inhibition (functional) = 29 % Growth inhibition of human HS 578T cells at 0.1 uM ChEMBL. 17446077
Inhibition (binding) = 82 % Inhibition of COX2 at 10 uM ChEMBL. 18262309
Inhibition (binding) = 88 % Inhibition of COX2 at 1 uM ChEMBL. 18262309
pGI50 (functional) > 4 Antitumor activity against human CCRF-CEM cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human HL60 (TB) cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human K562 cells ChEMBL. 17446077
pGI50 (functional) = 4 Antitumor activity against human MOLT4 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human RPMI8226 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SR cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human A549 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human EKVX cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human HOP62 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human NCI-H226 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human NCI-H23 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human NCI-H322 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human NCI-H460 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human NCI-H522 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human COLO205 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human HCC2998 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human HCT15 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human HT29 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human KM12 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SW620 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antotumor activity against human SF268 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SF295 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SF539 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SNB19 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SNB75 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human U251 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human LOX IMVI cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human MALME-3M cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SK-MEL-28 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SK-MEL-5 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human UACC257 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human UACC62 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human OVCAR3 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human OVCAR4 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human OVCAR5 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human OVCAR8 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SK-OV-3 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human 786-0 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human A498 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human ACHN cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human CAKI-1 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human SN12C cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human TK10 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human UO31 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human PC3 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human DU145 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human MCF7 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human NCI/ADR-RES cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human MDA-MB-2321/ATCC cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human MDA-MB-435 cells ChEMBL. 17446077
pGI50 (functional) > 4 Antitumor activity against human BT549 cells ChEMBL. 17446077
pGI50 (functional) = 4.04 Antitumor activity against human HCT116 cells ChEMBL. 17446077
pGI50 (functional) = 4.18 Antitumor activity against human HOP92 cells ChEMBL. 17446077
pGI50 (functional) = 4.23 Antitumor activity against human IGROV1 cells ChEMBL. 17446077
pGI50 (functional) = 4.28 Antitumor activity against human RXF393 cells ChEMBL. 17446077
pGI50 (functional) = 4.35 Antitumor activity against human HS 578T cells ChEMBL. 17446077

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

2 literature references were collected for this gene.

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