Detailed information for compound 216273

Basic information

Technical information
  • TDR Targets ID: 216273
  • Name: (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phe nyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl ]-N-cyclobutyl-4-oxobutanamide
  • MW: 553.135 | Formula: C31H41ClN4O3
  • H donors: 1 H acceptors: 3 LogP: 4.09 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(cc1)Cl)CC(=O)NC1CCC1)C)C(=O)C
  • InChi: 1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
  • InChiKey: PIOINJDBOJEISJ-TUXUZCGSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-oxo-butanamide
  • (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-piperazinyl]-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-oxobutanamide
  • (3S)-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-[4-[2-[1-[ethanoyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-4-oxo-butanamide
  • (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazino]-3-(4-chlorobenzyl)-N-cyclobutyl-4-keto-butyramide
  • (3S)-4-[4-[2-[1-(acetyl-ethylamino)ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-oxobutanamide
  • (3S)-4-[4-[2-[1-(acetyl-ethyl-amino)ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-oxo-butanamide
  • (3S)-4-[4-[2-[1-(acetyl-ethylamino)ethyl]phenyl]-1-piperazinyl]-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-oxobutanamide
  • (3S)-4-[4-[2-[1-(acetyl-ethyl-amino)ethyl]phenyl]piperazin-1-yl]-3-(4-chlorobenzyl)-N-cyclobutyl-4-keto-butyramide
  • (3S)-3-[(4-chlorophenyl)methyl]-N-cyclobutyl-4-[4-[2-[1-(ethanoyl-ethyl-amino)ethyl]phenyl]piperazin-1-yl]-4-oxo-butanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus melanocortin 1 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 3 receptor 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
Loa Loa (eye worm) hypothetical protein 0.0082 0.2995 0.2951
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0082 0.2995 0.2908
Loa Loa (eye worm) multidrug resistance-associated protein 0.0173 0.6739 0.6719
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0079 0.2873 0.1135
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Loa Loa (eye worm) hypothetical protein 0.025 0.9878 0.9877
Trichomonas vaginalis ABC transporter, putative 0.015 0.5763 1
Loa Loa (eye worm) ABC transporter 0.0082 0.2995 0.2951
Brugia malayi hypothetical protein 0.0082 0.2995 0.2951
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0082 0.2995 0.5092
Echinococcus multilocularis 0.0082 0.2995 0.2908
Schistosoma mansoni multidrug resistance protein 0.0253 1 1
Brugia malayi ABC transporter 0.0082 0.2995 0.2951
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0082 0.2995 0.2908
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0253 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.015 0.5763 0.5711
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0082 0.2995 0.2908
Schistosoma mansoni multidrug resistance protein 0.0079 0.2873 0.2828
Trichomonas vaginalis ABC transporter, putative 0.015 0.5763 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.2873 0.2828
Trichomonas vaginalis abcb9, putative 0.015 0.5763 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0147 0.5641 0.5587
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0082 0.2995 0.5092
Schistosoma mansoni multidrug resistance protein 0.015 0.5763 0.5737
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0082 0.2995 0.5
Entamoeba histolytica P-glycoprotein 6, putative 0.0082 0.2995 0.2908
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Plasmodium falciparum ABC transporter B family member 7, putative 0.0082 0.2995 0.5092
Trypanosoma brucei multidrug resistance protein E 0.0253 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0079 0.2873 0.2784
Echinococcus granulosus multidrug resistance protein 1 0.015 0.5763 0.5711
Schistosoma mansoni multidrug resistance protein 0.0082 0.2995 0.2951
Entamoeba histolytica P-glycoprotein 5, putative 0.0079 0.2873 0.2784
Leishmania major ABC-thiol transporter 0.0253 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.2995 0.2908
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.2995 0.2908
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.015 0.5763 0.5711
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.2995 0.2908
Trichomonas vaginalis ABC transporter, half transporter, putative 0.015 0.5763 1
Plasmodium vivax ABC transporter B family member 6, putative 0.0082 0.2995 0.5092
Plasmodium vivax ABC transporter B family member 5, putative 0.0082 0.2995 0.5092
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0082 0.2995 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0686 0.0628
Brugia malayi Cytochrome P450 family protein 0.0026 0.0686 0.0628
Entamoeba histolytica ABC transporter, putative 0.0253 1 1
Loa Loa (eye worm) multidrug resistance protein 3 0.015 0.5763 0.5737
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0082 0.2995 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0082 0.2995 0.2908
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0012 0.0122 0.006
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0253 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0082 0.2995 0.5
Brugia malayi ABC transporter family protein 0.015 0.5763 0.5737
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0686 0.0628
Echinococcus multilocularis multidrug resistance associated protein 4 0.017 0.6617 0.6575
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 1 1
Leishmania major p-glycoprotein e 0.0253 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.015 0.5763 1
Schistosoma mansoni smdr2 0.015 0.5763 0.5737
Loa Loa (eye worm) hypothetical protein 0.015 0.5763 0.5737
Echinococcus granulosus ATP binding cassette sub family B 0.0082 0.2995 0.2908
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0686 0.1963
Schistosoma mansoni multidrug resistance protein 0.0253 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0686 0.0571
Echinococcus granulosus multidrug resistance protein 1 0.007 0.2503 0.241
Toxoplasma gondii ABC transporter, putative 0.0082 0.2995 0.2908
Echinococcus multilocularis multidrug resistance associated protein 7 0.0253 1 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.015 0.5763 0.5711
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.015 0.5763 0.5711
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0082 0.2995 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0253 1 1
Leishmania major p-glycoprotein 0.015 0.5763 0.5711
Echinococcus multilocularis multidrug resistance protein 1 0.015 0.5763 0.5711
Echinococcus granulosus multidrug resistance protein 1 0.015 0.5763 0.5711
Leishmania major cytochrome p450-like protein 0.0026 0.0686 0.0571
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.015 0.5763 0.5711
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.015 0.5763 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0253 1 1
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0082 0.2995 0.2908
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0079 0.2873 0.2828
Plasmodium vivax ABC transporter B family member 4, putative 0.0082 0.2995 0.5092
Plasmodium vivax ABC transporter B family member 7, putative 0.0082 0.2995 0.5092
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.015 0.5763 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0082 0.2995 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.015 0.5763 1
Echinococcus multilocularis multidrug resistance protein 1 0.015 0.5763 0.5711
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.2995 0.2908
Echinococcus multilocularis multidrug resistance protein 1 0.007 0.2503 0.241
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0082 0.2995 0.2908
Echinococcus granulosus ATP binding cassette sub family B 0.0079 0.2873 0.2784
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Loa Loa (eye worm) ABC transporter 0.0082 0.2995 0.2951
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Trypanosoma brucei p-glycoprotein 0.0253 1 1
Brugia malayi multidrug resistance protein 3 0.015 0.5763 0.5737
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0082 0.2995 0.2908
Loa Loa (eye worm) hypothetical protein 0.0019 0.0377 0.0317
Brugia malayi ABC transporter 0.0079 0.2873 0.2828
Trichomonas vaginalis abcb9, putative 0.015 0.5763 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.015 0.5763 0.5711
Plasmodium falciparum multidrug resistance-associated protein 1 0.0082 0.2995 0.5092
Trypanosoma cruzi hypothetical protein 0.017 0.6617 0.6575
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Giardia lamblia Multidrug resistance-associated protein 1 0.025 0.9878 0.9878
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0253 1 1
Brugia malayi multidrug resistance related protein 1 0.0253 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0082 0.2995 0.2951
Plasmodium falciparum ABC transporter B family member 5, putative 0.0082 0.2995 0.5092
Echinococcus multilocularis multidrug resistance associated protein 1 0.0253 1 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0082 0.2995 0.2951
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0686 0.0571
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0082 0.2995 0.2908
Plasmodium vivax ABC transporter B family member 3, putative 0.0082 0.2995 0.5092
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.015 0.5763 0.5737
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0253 1 1
Trichomonas vaginalis ABC transporter, putative 0.015 0.5763 1
Schistosoma mansoni multidrug resistance protein 0.0253 1 1
Echinococcus granulosus multidrug resistance protein 1 0.007 0.2503 0.241
Entamoeba histolytica P-glycoprotein-2, putative 0.015 0.5763 0.5711
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0253 1 1
Entamoeba histolytica P-glycoprotein-5 0.015 0.5763 0.5711
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.015 0.5763 0.5711
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.015 0.5763 0.5711
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.015 0.5763 0.5711
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.015 0.5763 0.5711
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0082 0.2995 0.2951
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0082 0.2995 0.2908
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0253 1 1
Echinococcus granulosus multidrug resistance associated protein 4 0.017 0.6617 0.6575
Brugia malayi ABC transporter family protein 0.0082 0.2995 0.2951
Plasmodium falciparum multidrug resistance protein 2 0.0082 0.2995 0.5092
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0079 0.2873 0.1135
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0082 0.2995 0.2908
Brugia malayi ABC transporter family protein 0.0082 0.2995 0.2951
Plasmodium vivax multidrug resistance protein 1, putative 0.015 0.5763 1
Plasmodium falciparum ABC transporter B family member 6, putative 0.0082 0.2995 0.5092
Entamoeba histolytica P-glycoprotein-2 0.015 0.5763 0.5711
Brugia malayi P-glycoprotein-like protein 0.0082 0.2995 0.2951
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.015 0.5763 0.5711
Schistosoma mansoni multidrug resistance protein 0.015 0.5763 0.5737
Echinococcus granulosus multidrug resistance associated protein 1 0.0253 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0082 0.2995 1
Brugia malayi ABC transporter transmembrane region family protein 0.0079 0.2873 0.2828
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Plasmodium falciparum ABC transporter B family member 4, putative 0.0082 0.2995 0.5092
Entamoeba histolytica multidrug resistance protein, putative 0.0253 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0253 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0082 0.2995 0.2908
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.015 0.5763 1
Toxoplasma gondii ABC transporter family protein 0.0082 0.2995 0.2908
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.015 0.5763 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5641 0.5613
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.015 0.5763 0.5711
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.015 0.5763 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.2873 0.1135
Echinococcus granulosus multidrug resistance associated protein 7 0.0253 1 1
Echinococcus granulosus multidrug resistance protein 1 0.015 0.5763 0.5711
Entamoeba histolytica P-glycoprotein 5, putative 0.015 0.5763 0.5711
Giardia lamblia ABC transporter, putative 0.0253 1 1
Entamoeba histolytica P-glycoprotein-1 0.015 0.5763 0.5711
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0082 0.2995 0.2908
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0686 0.0628
Schistosoma mansoni multidrug resistance protein 0.015 0.5763 0.5737
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0082 0.2995 0.2908
Leishmania major pentamidine resistance protein 1 0.0253 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.015 0.5763 0.5711
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0686 0.0571
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0082 0.2995 0.2908
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0082 0.2995 0.5
Onchocerca volvulus 0.015 0.5763 0.5
Giardia lamblia Multidrug resistance-associated protein Mrp2 0.0079 0.2873 0.2873
Giardia lamblia Multidrug resistance-associated protein 1 0.0253 1 1
Trichomonas vaginalis ABC transporter, putative 0.015 0.5763 1
Trichomonas vaginalis taga, putative 0.015 0.5763 1
Giardia lamblia Hypothetical protein 0.0079 0.2873 0.2873
Loa Loa (eye worm) hypothetical protein 0.015 0.5763 0.5737
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0253 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0147 0.5641 0.5587
Entamoeba histolytica P-glycoprotein-2 0.015 0.5763 0.5711
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0079 0.2873 0.1135
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.015 0.5763 1
Entamoeba histolytica hypothetical protein 0.0253 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.015 0.5763 1
Plasmodium falciparum ABC transporter B family member 3, putative 0.0082 0.2995 0.5092
Plasmodium falciparum multidrug resistance protein 1 0.015 0.5763 1
Schistosoma mansoni smdr1 0.0082 0.2995 0.2951
Plasmodium vivax multidrug resistance protein 2, putative 0.0082 0.2995 0.5092
Loa Loa (eye worm) ABC transporter 0.0082 0.2995 0.2951
Trichomonas vaginalis abcb9, putative 0.015 0.5763 1
Giardia lamblia MRP-like ABC transporter 0.0253 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0082 0.2995 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0082 0.2995 0.151
Brugia malayi ABC transporter family protein 0.0082 0.2995 0.2951
Echinococcus granulosus ATP binding cassette sub family B 0.0082 0.2995 0.2908
Schistosoma mansoni multidrug resistance protein 0.0253 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0253 1 1
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.0686 0.0628
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.015 0.5763 1
Plasmodium falciparum multidrug resistance-associated protein 2 0.0082 0.2995 0.5092

Activities

Activity type Activity value Assay description Source Reference
Activation (functional) = 100 % Percentage of maximal response with respect to alpha-MSH in cells expressing the melanocortin 4 receptor ChEMBL. 14698163
Activation (functional) = 100 % Percentage of maximal response with respect to alpha-MSH in cells expressing the melanocortin 4 receptor ChEMBL. 14698163
EC50 (functional) = 15 nM Intracellular level of cAMP in cells expressing the melanocortin 4 receptor ChEMBL. 14698163
EC50 (functional) = 15 nM Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor ChEMBL. 15357964
EC50 (functional) = 15 nM Intracellular level of cAMP in cells expressing the melanocortin 4 receptor ChEMBL. 14698163
EC50 (functional) = 15 nM Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor ChEMBL. 15357964
IA (functional) = 100 % Percent intrinsic activity of alpha-MSH-stimulated cAMP level in CHO cells expressing human melanocortin-4 receptor ChEMBL. 15357964
IA (functional) = 100 % Percent intrinsic activity of alpha-MSH-stimulated cAMP level in CHO cells expressing human melanocortin-4 receptor ChEMBL. 15357964
IC50 (binding) = 5.8 nM Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor ChEMBL. 14698163
IC50 (binding) = 5.8 nM Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor ChEMBL. 14698163
IC50 (binding) > 600 nM Inhibitory activity against mouse melanocortin 1 receptor ChEMBL. 14698163
IC50 (binding) > 600 nM Inhibitory activity against mouse melanocortin 1 receptor ChEMBL. 14698163
IC50 (binding) > 10000 nM Inhibitory activity against human melanocortin 3 receptor ChEMBL. 14698163
IC50 (binding) > 10000 nM Inhibitory activity against human melanocortin 3 receptor ChEMBL. 14698163
Ki (binding) = 6 nM Displacement of 125I-NDP-a-MSH from human Melanocortin receptor 4 after 2 hrs by TopCount microplate scintillation and luminescence counter ChEMBL. 26390077

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

3 literature references were collected for this gene.

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