Detailed information for compound 431504

Basic information

Technical information
  • TDR Targets ID: 431504
  • Name: (3S)-3-[[2-[[(2S)-5-(diaminomethylideneamino) -2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-met hyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclop enta[a]phenanthren-17-yl]oxy]-4-oxobutanoyl]a mino]pentanoyl]amino]acetyl]amino]-4-[[(2S)-1 -hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-o xobutanoic acid
  • MW: 847.953 | Formula: C43H57N7O11
  • H donors: 9 H acceptors: 10 LogP: 2.39 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=N)NCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(=O)O)NC(=O)CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O
  • InChi: 1S/C43H57N7O11/c1-43-18-17-28-27-12-10-26(51)21-25(27)9-11-29(28)30(43)13-14-34(43)61-38(56)16-15-35(52)48-31(8-5-19-46-42(44)45)39(57)47-23-36(53)49-32(22-37(54)55)40(58)50-33(41(59)60)20-24-6-3-2-4-7-24/h2-4,6-7,10,12,21,28-34,51H,5,8-9,11,13-20,22-23H2,1H3,(H,47,57)(H,48,52)(H,49,53)(H,50,58)(H,54,55)(H,59,60)(H4,44,45,46)/t28-,29-,30+,31+,32+,33+,34+,43+/m1/s1
  • InChiKey: CSHMIFTUBGDSKP-UZSAAMCRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-3-[[2-[[(2S)-5-guanidino-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-oxo-butanoic acid
  • (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-oxoethyl]amino]-3-[[2-[[(2S)-5-guanidino-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-1,4-dioxobutyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid
  • (3S)-3-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoyl]amino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1-hydroxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid
  • (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-3-[[2-[[(2S)-5-guanidino-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-keto-butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-keto-butyric acid
  • (3S)-3-[[2-[[(2S)-5-guanidino-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-[[(1S)-2-hydroxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-butanoic acid
  • (3S)-3-[[2-[[(2S)-5-guanidino-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-1,4-dioxobutyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(1S)-2-hydroxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutanoic acid
  • (3S)-4-[[(1S)-1-(benzyl)-2-hydroxy-2-keto-ethyl]amino]-3-[[2-[[(2S)-5-guanidino-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-keto-butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-keto-butyric acid
  • (3S)-3-[2-[[(2S)-5-(diaminomethylideneamino)-2-[[4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoyl]amino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1-hydroxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid

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
Entamoeba histolytica P-glycoprotein-2 0.0022 0.028 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.028 0.1368
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.028 0.1368
Loa Loa (eye worm) hypothetical protein 0.0049 0.1511 0.1731
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0022 0.028 0.0314
Trypanosoma cruzi ISWI complex protein 0.0015 0 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.028 0.1368
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1426 0.7109
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.028 0.1368
Brugia malayi multidrug resistance protein 3 0.0022 0.028 0.0314
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1511 0.1731
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1313
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0931 0.463
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.8702 1
Schistosoma mansoni hypothetical protein 0.0033 0.0815 0.3763
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0022 0.028 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1426 0.7109
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0029
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.028 0.1368
Trypanosoma brucei ISWI complex protein 0.0015 0 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2004 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0022 0.028 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.028 0.1368
Onchocerca volvulus 0.003 0.0657 0.0388
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0079 0.0365
Brugia malayi Bromodomain containing protein 0.0038 0.1038 0.1186
Entamoeba histolytica P-glycoprotein-2, putative 0.0022 0.028 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.1041 0.119
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0079 0.0365
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0815 0.093
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0029
Schistosoma mansoni multidrug resistance protein 0.0022 0.028 0.1291
Entamoeba histolytica P-glycoprotein 5, putative 0.0022 0.028 0.5
Schistosoma mansoni multidrug resistance protein 0.0022 0.028 0.1291
Loa Loa (eye worm) hypothetical protein 0.0021 0.0269 0.0302
Schistosoma mansoni zinc finger protein 0.002 0.0193 0.0891
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.028 0.1368
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1426 0.6587
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0269 0.1315
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.028 0.1368
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0931 0.463
Entamoeba histolytica P-glycoprotein-5 0.0022 0.028 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0241 0.1112
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0107 0.0116
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0327 0.151
Brugia malayi ABC transporter family protein 0.0022 0.028 0.0314
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.028 0.1368
Schistosoma mansoni bromodomain containing protein 0.0063 0.2165 1
Trichomonas vaginalis set domain proteins, putative 0.0237 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0327 0.1605
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0607 0.3008
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.028 0.1368
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0022 0.028 1
Entamoeba histolytica P-glyco protein 6, putative 0.0022 0.028 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.028 0.1368
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0657 0.3033
Loa Loa (eye worm) hypothetical protein 0.0047 0.1426 0.1633
Loa Loa (eye worm) hypothetical protein 0.0022 0.028 0.0314
Brugia malayi PHD-finger family protein 0.0025 0.0434 0.0492
Trypanosoma cruzi ISWI complex protein 0.0015 0 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0366
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0029
Plasmodium vivax SET domain protein, putative 0.003 0.0657 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.2501 0.2869
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.028 0.1368
Plasmodium falciparum multidrug resistance protein 1 0.0022 0.028 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1511 0.1731
Brugia malayi Pre-SET motif family protein 0.0209 0.8702 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0021 0.0269 0.1315
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0657 0.3256
Brugia malayi Bromodomain containing protein 0.0075 0.2694 0.3091
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0327 0.1605
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.028 0.1368
Loa Loa (eye worm) hypothetical protein 0.0033 0.0815 0.093
Loa Loa (eye worm) multidrug resistance protein 3 0.0022 0.028 0.0314
Loa Loa (eye worm) hypothetical protein 0.0022 0.028 0.0314
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1426 0.6587
Entamoeba histolytica P-glycoprotein-2 0.0022 0.028 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1511 0.1731
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0366
Schistosoma mansoni multidrug resistance protein 0.0022 0.028 0.1291
Brugia malayi Pre-SET motif family protein 0.003 0.0657 0.0748
Loa Loa (eye worm) hypothetical protein 0.0043 0.1234 0.1412
Echinococcus multilocularis zinc finger protein 0.002 0.0193 0.0935
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0657 1
Echinococcus granulosus zinc finger protein 0.002 0.0193 0.0935
Leishmania major p-glycoprotein 0.0022 0.028 1
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.028 0.1368
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0657 0.3033
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2004 1
Schistosoma mansoni hypothetical protein 0.0015 0.0006 0.0029
Entamoeba histolytica P-glycoprotein-1 0.0022 0.028 0.5
Schistosoma mansoni smdr2 0.0022 0.028 0.1291
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0241 0.027

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0.516 % Effect on phosphorus level in mouse at 0.110 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 0.516 % Effect on phosphorus level in mouse at 0.110 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 0.605 % Antiosteoporosis activity in ovariectomized ICR mouse assessed as mineral content in femur at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (functional) = 0.61 % Antiosteoporosis activity against ovariectomized ICR mouse assessed as mineral content at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 1.602 % Effect on serum phosphorous Concentration in mouse at 0.110 mmol/kg,po ChEMBL. 17571867
Activity (functional) = 1.602 % Effect on serum phosphorous Concentration in mouse at 0.110 mmol/kg,po ChEMBL. 17571867
Activity (functional) = 2.036 % Effect on serum calcium level in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 2.036 % Effect on serum calcium level in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 20.56 % Antiosteoporosis activity in ovariectomized ICR mouse assessed as phosphorous content in femur at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment by molybdenum blue method ChEMBL. 19004530
Activity (functional) = 20.56 % Antiosteoporosis activity against ovariectomized ICR mouse assessed as femur phosphorous content at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 24.665 % Effect on phosphorus level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 24.665 % Effect on phosphorus level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 51.903 % Effect on calcium level in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 51.903 % Effect on calcium level in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 52.798 % Effect on calcium level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 52.798 % Effect on calcium level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 58.06 % Antiosteoporosis activity against ovariectomized ICR mouse assessed as femur calcium content at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 59.36 % Antiosteoporosis activity in ovariectomized ICR mouse assessed as calcium content in femur at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment by o-methyl-phenolphthalein ChEMBL. 19004530
Activity (functional) = 1.635 cm Effect on femur length in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 1.635 cm Effect on femur length in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 1.638 cm Effect on lenght of femur in mouse at 0.110 mmol/kg,po ChEMBL. 17571867
Activity (functional) = 1.638 cm Effect on lenght of femur in mouse at 0.110 mmol/kg,po ChEMBL. 17571867
Activity (functional) = 16.4 cm Antiosteoporosis activity in ovariectomized ICR mouse assessed as length of femur at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (functional) = 16.4 cm Antiosteoporosis activity against ovariectomized ICR mouse assessed as femur length at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (ADMET) = 0.06 g Toxicity in ovariectomized ICR mouse assessed as effect on uterine weight at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (ADMET) = 0.06 g Toxicity in ovariectomized ICR mouse assessed as change in uterine weight at 110.3 nmol/kg, po after 4 weeks ChEMBL. 19386502
Activity (ADMET) = 0.109 g Toxicity in ovariectomized ICR mouse assessed as lung weight at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (ADMET) = 0.135 g Toxicity in ovariectomized ICR mouse assessed as spleen weight at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (ADMET) = 0.16 g Toxicity in ovariectomized ICR mouse assessed as kidney weight at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (ADMET) = 1.266 g Toxicity in ovariectomized ICR mouse assessed as liver weight at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (functional) = 1.338 g Effect on liver weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 1.338 g Effect on liver weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 1.391 g Effect on liver weight in ovariectomized mouse at 0.110 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 1.391 g Effect on liver weight in ovariectomized mouse at 0.110 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 34.8 g Increase in body weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 34.8 g Increase in body weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 30 mg Effect on femur ash weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 30 mg Effect on femur ash weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 33.87 mg Antiosteoporosis activity in ovariectomized ICR mouse assessed as weight of femur ash at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (functional) = 34.8 mg Effect on femur ash weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 34.8 mg Effect on femur ash weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 34.87 mg Antiosteoporosis activity against ovariectomized ICR mouse assessed as femur ash weight at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 38.2 mg Effect on uterus weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 38.2 mg Effect on uterus weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 54 mg Antiosteoporosis activity in ovariectomized ICR mouse assessed as weight of dry femur at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment ChEMBL. 19004530
Activity (functional) = 54 mg Antiosteoporosis activity against ovariectomized ICR mouse assessed as dry femur weight at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 62.7 mg Effect on dry weight of femurs in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 62.7 mg Effect on dry weight of femurs in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 66 mg Effect on dry weight of femurs in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 66 mg Effect on dry weight of femurs in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 71.2 mg Effect on uterus weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 71.2 mg Effect on uterus weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 142 mg Effect on spleen weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 142 mg Effect on spleen weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 142 mg Effect on spleen weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 142 mg Effect on spleen weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 164 mg Effect on lung weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 164 mg Effect on lung weight in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 167 mg Effect on lung weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 167 mg Effect on lung weight in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 3.01 mM Antiosteoporosis activity in ovariectomized ICR mouse assessed as phosphorous level in serum at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment by molybdenum blue method ChEMBL. 19004530
Activity (functional) = 3.01 mM Antiosteoporosis activity against ovariectomized ICR mouse assessed as serum phosphorous level at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 3.21 mM Antiosteoporosis activity in ovariectomized ICR mouse assessed as calcium level in serum at 110.3 nmol/kg, po treated for 4 weeks measured after 1 day of last treatment by o-methyl-phenolphthalein method ChEMBL. 19004530
Activity (functional) = 3.34 mM Antiosteoporosis activity against ovariectomized ICR mouse assessed as serum calcium level at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 1.605 mmol/L Effect on serum phosphorus level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 1.605 mmol/L Effect on serum phosphorus level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 2.005 mmol/L Effect on serum calcium level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 2.005 mmol/L Effect on serum calcium level in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (ADMET) = 568 s Toxicity in ovariectomized ICR mouse assessed as tail bleeding time at 110.3 nmol/kg, po for 90 mins ChEMBL. 19386502
Activity (ADMET) = 576 s Toxicity in ovariectomized ICR mouse assessed as tail bleeding time at 110.3 nmol/kg, po for 30 mins ChEMBL. 19386502
Activity (functional) = 23.18 U/L Antiosteoporosis activity against ovariectomized ICR mouse assessed as serum ALP activity at 110.3 nmol/kg, po after 30 mins ChEMBL. 19386502
Activity (functional) = 31.486 U/L Effect on serum ALP lavel in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 31.486 U/L Effect on serum ALP lavel in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Activity (functional) = 35.511 U/L Effect on serum ALP level in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Activity (functional) = 35.511 U/L Effect on serum ALP level in mouse at 0.1103 mmol/kg, po ChEMBL. 17571867
Ratio (functional) = 0.533 Effect on mineral content in ovariectomized mouse at 0.1103 mmol/kg, ip once daily for 4 weeks ChEMBL. 17571867
Time (ADMET) = 568 s Toxicity in ovariectomized ICR mouse assessed as effect on tail bleeding time at 110.3 nmol/kg, po treated for 4 weeks measured after 90 mins of last treatment ChEMBL. 19004530
Time (ADMET) = 576 s Toxicity in ovariectomized ICR mouse assessed as effect on tail bleeding time at 110.3 nmol/kg, po treated for 4 weeks measured after 30 mins of last treatment ChEMBL. 19004530

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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