Detailed information for compound 5515
Basic information
Technical information
- TDR Targets ID: 5515
- Name: 4-[4-(4-carbamimidoylphenyl)-1,4-diazepan-1-y l]benzenecarboximidamide
- MW: 336.434 | Formula: C19H24N6
-
H donors: 2
H acceptors: 0
LogP: 1.92
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(=N)N
- InChi: 1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
- InChiKey: INGAEVQROKUCFW-UHFFFAOYSA-N
Network
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Synonyms
- 4-[4-(4-carbamimidoylphenyl)-1,4-diazepan-1-yl]benzamidine
- 4-[4-(4-amidinophenyl)-1,4-diazepan-1-yl]benzamidine
- 4-[4-(4-Amidinophenyl)-1,4-diazaperhydroepinyl]benzenecarboxamidine
- AIDS-095277
- AIDS095277
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | protease, serine, 2 (trypsin 2) | References | |
| Bos taurus | Coagulation factor X | Starlite/ChEMBL | References |
| Homo sapiens | transmembrane protease, serine 6 | Starlite/ChEMBL | References |
| Homo sapiens | protease, serine, 3 | Starlite/ChEMBL | References |
| Rattus norvegicus | Glutamate NMDA receptor | Starlite/ChEMBL | References |
| Homo sapiens | suppression of tumorigenicity 14 (colon carcinoma) | Starlite/ChEMBL | References |
| Homo sapiens | coagulation factor II (thrombin) | Starlite/ChEMBL | References |
| Homo sapiens | protease, serine, 1 (trypsin 1) | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Schistosoma mansoni | cercarial elastase (S01 family) | protease, serine, 3 | 261 aa | 234 aa | 25.2 % |
| Schistosoma mansoni | cercarial elastase (S01 family) | protease, serine, 2 (trypsin 2) | 247 aa | 240 aa | 25.8 % |
| Brugia malayi | Trypsin family protein | protease, serine, 1 (trypsin 1) | 247 aa | 287 aa | 21.6 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Glycosyl hydrolase family 20, catalytic domain containing protein | 0.0079436 | 0.070177 | 0.0934632 |
| Onchocerca volvulus | 0.0311481 | 0.557993 | 0.542232 | |
| Schistosoma mansoni | beta-hexosaminidase B | 0.040322 | 0.750852 | 1 |
| Brugia malayi | Glycosyl hydrolase family 20, catalytic domain containing protein | 0.040322 | 0.750852 | 1 |
| Loa Loa (eye worm) | DOMON domain-containing protein | 0.00624327 | 0.0344317 | 0.0458568 |
| Trichomonas vaginalis | beta-hexosaminidase, putative | 0.0079436 | 0.070177 | 0.195847 |
| Schistosoma mansoni | beta-hexosaminidase B | 0.040322 | 0.750852 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00624327 | 0.0344317 | 0.0458568 |
| Brugia malayi | Telomerase reverse transcriptase | 0.0359372 | 0.658672 | 0.877234 |
| Echinococcus granulosus | beta hexosaminidase subunit beta | 0.040322 | 0.750852 | 1 |
| Brugia malayi | Muscle positioning protein 4 | 0.00624327 | 0.0344317 | 0.0458568 |
| Loa Loa (eye worm) | hypothetical protein | 0.0079436 | 0.070177 | 0.0934632 |
| Onchocerca volvulus | Telomerase reverse transcriptase homolog | 0.0521735 | 1 | 1 |
| Loa Loa (eye worm) | glycosyl hydrolase family 20 | 0.040322 | 0.750852 | 1 |
| Trichomonas vaginalis | beta-hexosaminidase, putative | 0.0216503 | 0.358326 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0079436 | 0.070177 | 0.0934632 |
| Entamoeba histolytica | beta-N-acetylhexosaminidase, putative | 0.040322 | 0.750852 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00624327 | 0.0344317 | 0.0458568 |
| Brugia malayi | SEA domain containing protein | 0.00624327 | 0.0344317 | 0.0458568 |
| Trichomonas vaginalis | beta-hexosaminidase B, putative | 0.0216503 | 0.358326 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0311481 | 0.557993 | 0.743148 |
| Trypanosoma cruzi | Wee1-like protein kinase, putative | 0.00771541 | 0.0653798 | 0.26739 |
| Trichomonas vaginalis | beta-hexosaminidase, putative | 0.0216503 | 0.358326 | 1 |
| Brugia malayi | Trypsin family protein | 0.0311481 | 0.557993 | 0.743148 |
| Plasmodium falciparum | telomerase reverse transcriptase | 0.0162363 | 0.244511 | 1 |
| Trypanosoma cruzi | telomerase reverse transcriptase, putative | 0.0162363 | 0.244511 | 1 |
| Trypanosoma brucei | wee1-like protein kinase | 0.00771541 | 0.0653798 | 0.26739 |
| Giardia lamblia | Telomerase catalytic subunit | 0.0162363 | 0.244511 | 1 |
| Toxoplasma gondii | RNA-directed DNA polymerase | 0.0162363 | 0.244511 | 1 |
| Echinococcus granulosus | beta hexosaminidase subunit alpha | 0.0216503 | 0.358326 | 0.477226 |
| Leishmania major | telomerase reverse transcriptase, putative | 0.0162363 | 0.244511 | 1 |
| Trypanosoma cruzi | telomerase reverse transcriptase, putative | 0.0162363 | 0.244511 | 1 |
| Trypanosoma brucei | telomerase reverse transcriptase | 0.0162363 | 0.244511 | 1 |
| Echinococcus multilocularis | beta hexosaminidase subunit beta | 0.040322 | 0.750852 | 1 |
| Trichomonas vaginalis | beta-hexosaminidase, putative | 0.0216503 | 0.358326 | 1 |
| Leishmania major | protein kinase, putative,serine/threonine protein kinase, putative | 0.00771541 | 0.0653798 | 0.26739 |
| Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0311481 | 0.557993 | 0.743148 |
| Schistosoma mansoni | hypothetical protein | 0.00624327 | 0.0344317 | 0.0458568 |
| Entamoeba histolytica | beta-N-acetylhexosaminidase, alpha subunit | 0.040322 | 0.750852 | 1 |
| Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0326399 | 0.589355 | 0.784915 |
| Onchocerca volvulus | Hexosaminidase D homolog | 0.0079436 | 0.070177 | 0.03702 |
| Trypanosoma cruzi | Wee1-like protein kinase, putative | 0.00771541 | 0.0653798 | 0.26739 |
| Entamoeba histolytica | beta-N-acetylhexosaminidase, putative | 0.040322 | 0.750852 | 1 |
| Trypanosoma cruzi | Wee1-like protein kinase, putative | 0.00771541 | 0.0653798 | 0.26739 |
| Onchocerca volvulus | 0.0279582 | 0.490934 | 0.472781 | |
| Entamoeba histolytica | beta-N-acetylhexosaminidase, beta subunit | 0.040322 | 0.750852 | 1 |
| Leishmania major | serine/threonine-protein kinase, putative,protein kinase, putative | 0.00771541 | 0.0653798 | 0.26739 |
| Echinococcus multilocularis | beta hexosaminidase subunit alpha | 0.0216503 | 0.358326 | 0.477226 |
| Brugia malayi | Glycosyl hydrolase family 20, catalytic domain containing protein | 0.0079436 | 0.070177 | 0.0934632 |
| Loa Loa (eye worm) | hypothetical protein | 0.0311481 | 0.557993 | 0.743148 |
| Plasmodium vivax | telomerase reverse transcriptase, putative | 0.0162363 | 0.244511 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (binding) | = 15 % | Inhibition of human matriptase-2 transfected in HEK cells assessed as residual activity at 40 uM using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis | ChEMBL. | 27287367 |
| Activity (functional) | = 37.58 % | Inhibitory activity of the compound (10.0 uM) against NMDA (30 uM) and glycine (10 uM) induced increase in [Ca2+]i in cultured forebrain neurons from fetal rat | ChEMBL. | 10340618 |
| Activity (functional) | = 67.04 % | Inhibitory activity of the compound (1.0 uM) against NMDA (30 uM) and glycine (10 uM) induced increase in [Ca2+]i in cultured forebrain neurons from fetal rat | ChEMBL. | 10340618 |
| Activity (functional) | = 87 % | Protective potency against glutamate-induced neurotoxicity in cultures of embryonic rat brain at a compound concentration of 100 uM | ChEMBL. | 10340618 |
| Activity (functional) | = 98 % | Protective potency against glutamate-induced neurotoxicity in cultures of embryonic rat brain at a concentration of 100 uM+Glutamate (100 uM) | ChEMBL. | 10340618 |
| Activity (functional) | = 99 % | Protective potency against glutamate-induced neurotoxicity in cultures of embryonic rat brain at a compound concentration of 10 uM+Glutamate (100 uM) | ChEMBL. | 10340618 |
| Activity (functional) | = 100 % | Protective potency against glutamate-induced neurotoxicity in cultures of embryonic rat brain at a compound concentration of 10 uM | ChEMBL. | 10340618 |
| Activity (functional) | = 111.26 % | Inhibitory activity of the compound (0.1 uM) against NMDA (30 uM) and glycine (10 uM) induced increase in [Ca2+]i in cultured forebrain neurons from fetal rat | ChEMBL. | 10340618 |
| Change in No. of trophozoites x 10E-5 (functional) | = -3.32 | Anti-P. carinii activity determined as change in number of P. carinii trophozoites from day 1 through day 5 in culture at 1 microM | ChEMBL. | 11591500 |
| Change in Tm (binding) | = 15 degrees C | Binding affinity of the compound for calf thymus DNA measured as change in melting temperature | ChEMBL. | 11591500 |
| Change in Tm (binding) | = 23.1 degrees C | Binding affinity of the compound for Poly (dA-dT) measured as change in melting temperature | ChEMBL. | 11591500 |
| DNA binding (binding) | = 15 degrees C | DNA binding affinity using calf thymus DNA. | ChEMBL. | 12620080 |
| DNA binding (binding) | = 23.1 degrees C | DNA binding affinity using poly(dA-dT). | ChEMBL. | 12620080 |
| GI50 (ADMET) | = 5.1 | Growth inhibition of Homo sapiens (human) SN12C cells after 48 hr by SRB assay | ChEMBL. | No reference |
| Growth (functional) | < 0 % | Percent of control growth of P. carinii trophozoites was determined | ChEMBL. | 11591500 |
| IC50 (functional) | = 2.15 nM | In vitro inhibitory concentration against mice infected with Trypanosoma brucei pentamidine-sensitive strain (EATRO Lab 110). | ChEMBL. | 12620080 |
| IC50 (functional) | = 2.15 nM | In vitro inhibitory concentration against mice infected with Trypanosoma brucei pentamidine-sensitive strain (EATRO Lab 110). | ChEMBL. | 12620080 |
| IC50 (functional) | = 2.71 nM | In vitro inhibitory concentration against mice infected with Trypanosoma brucei rhodesiense (KETRI 243). | ChEMBL. | 12620080 |
| IC50 (functional) | = 2.71 nM | In vitro inhibitory concentration against mice infected with Trypanosoma brucei rhodesiense (KETRI 243). | ChEMBL. | 12620080 |
| IC50 (functional) | = 3.3 nM | In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3) | ChEMBL. | 12620080 |
| IC50 (functional) | = 3.3 nM | In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3) | ChEMBL. | 12620080 |
| IC50 (functional) | = 7.1 nM | In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (KETRI 269) | ChEMBL. | 12620080 |
| IC50 (functional) | = 7.1 nM | In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (KETRI 269) | ChEMBL. | 12620080 |
| IC50 (binding) | = 0.25 uM | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta counting analysis in absence of spermine | ChEMBL. | 26117647 |
| IC50 (binding) | = 0.35 uM | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by scintillation counting analysis | ChEMBL. | 26296478 |
| IC50 (binding) | = 1.19 uM | Inhibition of [3H]-dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor complex in rat brain membranes | ChEMBL. | 10340618 |
| IC50 (binding) | = 1.19 uM | Inhibition of [3H]-dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor complex in rat brain membranes | ChEMBL. | 10340618 |
| IC50 (functional) | = 1.6 uM | Antiplasmoidal activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH assay | ChEMBL. | 17533134 |
| IC50 (functional) | = 1.6 uM | Antiplasmoidal activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH assay | ChEMBL. | 17533134 |
| IC50 (binding) | = 5.47 uM | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta counting analysis in presence of 30 uM spermine | ChEMBL. | 26117647 |
| IC50 (binding) | = 19.1 uM | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by beta counting analysis in absence of spermine | ChEMBL. | 26117647 |
| Ki (binding) | = 0.397 uM | Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis | ChEMBL. | 27287367 |
| Ki (binding) | = 1.9 uM | Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis | ChEMBL. | 27287367 |
| Ki (binding) | = 4.39 uM | Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis | ChEMBL. | 27287367 |
| Ki (binding) | = 5.3 uM | Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis | ChEMBL. | 27287367 |
| Ki (binding) | = 7.83 uM | Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis | ChEMBL. | 27287367 |
| log(RatioIC50) (binding) | = 0.26 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 20 mM NH4+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 20 mM NH4+ | ChEMBL. | 26296478 |
| log(RatioIC50) (binding) | = 0.33 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 10 to 50 mM Tris to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 10 to 50 mM Tris | ChEMBL. | 26296478 |
| log(RatioIC50) (binding) | = 0.69 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 50 mM K+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 50 mM K+ | ChEMBL. | 26296478 |
| log(RatioIC50) (binding) | = 0.75 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of H+ at pH 6.4 to 8.2 to IC50 for NMDA receptor in Wistar rat brain membranes in absence of H+ at pH 6.4 to 8.2 | ChEMBL. | 26296478 |
| log(RatioIC50) (binding) | = 0.87 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 1.3 mM Mg2+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 1.3 mM Mg2+ | ChEMBL. | 26296478 |
| log(RatioIC50) (binding) | = 0.97 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 3 to 50 mM Na+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 3 to 50 mM Na+ | ChEMBL. | 26296478 |
| log(RatioIC50) (binding) | = 1.29 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 30 uM spermine to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 30 uM spermine | ChEMBL. | 26296478 |
| MSD (functional) | day | Mean survival dose (25.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. | ChEMBL. | 12620080 |
| MSD (functional) | day | Mean survival dose (10.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured | ChEMBL. | 12620080 |
| MSD (functional) | 0 day | Mean survival dose (10.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured | ChEMBL. | 12620080 |
| MSD (functional) | 0 day | Mean survival dose (25.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); All animals were cured. | ChEMBL. | 12620080 |
| MSD (functional) | = 8.3 day | Mean survival dose (1.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) | ChEMBL. | 12620080 |
| MSD (functional) | = 8.3 day | Mean survival dose (1.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) | ChEMBL. | 12620080 |
| MSD (functional) | = 12 day | Mean survival dose (5.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) | ChEMBL. | 12620080 |
| MSD (functional) | = 12 day | Mean survival dose (5.0 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) | ChEMBL. | 12620080 |
| MSD (functional) | = 16.5 day | Mean survival dose (2.5 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) | ChEMBL. | 12620080 |
| MSD (functional) | = 16.5 day | Mean survival dose (2.5 mg/kg) after intraperitoneal administration of the compound once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110) | ChEMBL. | 12620080 |
| Ratio (functional) | Ratio of number of cured to that of total after intraperitoneal administration of the compound (10.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) | ChEMBL. | 12620080 | |
| Ratio (functional) | Ratio of number of cured to that of total after intraperitoneal administration of the compound (1.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110);(0/3 of animals were cured) | ChEMBL. | 12620080 | |
| Ratio (functional) | Ratio of number of cured to that of total after intraperitoneal administration of the compound (25 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) | ChEMBL. | 12620080 | |
| Ratio (functional) | Ratio of number of cured to that of total after intraperitoneal administration of the compound (2.5 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (1/3 of animals were cured) | ChEMBL. | 12620080 | |
| Ratio (functional) | Ratio of number of cured to that of total after intraperitoneal administration of the compound (5.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (2/3 of animals were cured) | ChEMBL. | 12620080 | |
| Ratio (functional) | 0 | Ratio of number of cured to that of total after intraperitoneal administration of the compound (1.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110);(0/3 of animals were cured) | ChEMBL. | 12620080 |
| Ratio (functional) | 0 | Ratio of number of cured to that of total after intraperitoneal administration of the compound (2.5 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (1/3 of animals were cured) | ChEMBL. | 12620080 |
| Ratio (functional) | 0 | Ratio of number of cured to that of total after intraperitoneal administration of the compound (5.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (2/3 of animals were cured) | ChEMBL. | 12620080 |
| Ratio (functional) | 0 | Ratio of number of cured to that of total after intraperitoneal administration of the compound (10.0 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) | ChEMBL. | 12620080 |
| Ratio (functional) | 0 | Ratio of number of cured to that of total after intraperitoneal administration of the compound (25 mg/kg) once a day for 3 days in mouse infected with Trypanosoma brucei (EATRO Lab 110); (3/3 of animals were cured) | ChEMBL. | 12620080 |
| Ratio IC50 (binding) | = 1.83 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 20 mM NH4+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 20 mM NH4+ | ChEMBL. | 26296478 |
| Ratio IC50 (binding) | = 2.27 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 10 to 50 mM Tris to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 10 to 50 mM Tris | ChEMBL. | 26296478 |
| Ratio IC50 (binding) | = 4.98 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 50 mM K+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 50 mM K+ | ChEMBL. | 26296478 |
| Ratio IC50 (binding) | = 5.97 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of H+ at pH 6.4 to 8.2 to IC50 for NMDA receptor in Wistar rat brain membranes in absence of H+ at pH 6.4 to 8.2 | ChEMBL. | 26296478 |
| Ratio IC50 (binding) | = 7.55 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 1.3 mM Mg2+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 1.3 mM Mg2+ | ChEMBL. | 26296478 |
| Ratio IC50 (binding) | = 9.7 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 3 to 50 mM Na+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 3 to 50 mM Na+ | ChEMBL. | 26296478 |
| Ratio IC50 (binding) | = 20.4 | Ratio of IC50 for displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor in presence of 30 uM spermine to IC50 for displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor in absence of 30 spermine | ChEMBL. | 26117647 |
| Ratio IC50 (binding) | = 20.5 | Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 30 uM spermine to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 30 uM spermine | ChEMBL. | 26296478 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Trypanosoma brucei gambiense | 12620080 | ||
| Mus musculus | ChEMBL23 | 12620080 | |
| Trypanosoma brucei | ChEMBL23 | 12620080 | |
| Plasmodium falciparum | ChEMBL23 | 17533134 |
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.
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
- ChEMBL: CHEMBL269032
- PubChem: 480185
Bibliographic References
5 literature references were collected for this gene.
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