modafinil [Ligand Id: 7555] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1373 (Modafinil, THN-102 COMPONENT MODAFINIL, CRC-40476, CRL 40476, DEP-1538, THN102 COMPONENT MODAFINIL, Modafinil civ, CRL-40476, Provigil, CEP 1538, CEP-1538)
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  • Norepinephrine transporter in Rat [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL Binding affinity to wild type human DAT expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis B 4.89 pKi 13000 nM Ki J. Med. Chem. (2014) 57: 1000-1013 [PMID:24494745]
ChEMBL Binding affinity to human DAT A480T mutant expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis B 5.51 pKi 3090 nM Ki J. Med. Chem. (2014) 57: 1000-1013 [PMID:24494745]
ChEMBL Binding affinity to DAT (unknown origin) B 5.7 pKi 2000 nM Ki J Med Chem (2016) 59: 10676-10691 [PMID:27933960]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.84 pKi 1456 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assay B 6.03 pKi 927 nM Ki J Med Chem (2016) 59: 10676-10691 [PMID:27933960]
ChEMBL Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 1 min by liquid scintillation counting B 4.94 pIC50 11500 nM IC50 J Med Chem (2017) 60: 9330-9348 [PMID:29091428]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.74 pIC50 1832 nM IC50 DrugMatrix in vitro pharmacology data
DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977]
GtoPdb Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings using [3H]dopamine as radioligand - 5.42 pKi 3800 nM Ki J Med Chem (2004) 47: 5821-4 [PMID:15537337]
ChEMBL Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand B 5.42 pKi 3800 nM Ki J. Med. Chem. (2004) 47: 5821-5824 [PMID:15537337]
ChEMBL Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting analysis B 5.59 pKi 2600 nM Ki J. Med. Chem. (2014) 57: 1000-1013 [PMID:24494745]
ChEMBL Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes B 5.6 pKi 2520 nM Ki ACS Med. Chem. Lett. (2011) 2: 48-52 [PMID:21344069]
ChEMBL Inhibition of rat DAT-mediated dopamine reuptake B 5.37 pIC50 4300 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 2312-2314 [PMID:22264475]
ChEMBL Inhibition of rat DAT-mediated dopamine reuptake B 5.37 pIC50 4300 nM IC50 Eur. J. Med. Chem. (2012) 54: 949-951 [PMID:22749190]
ChEMBL Inhibition of rat brain DAT assessed as reduction of [3H]-DA re-uptake preincubated for 30 mins followed by [3H]-DA addition measured after 5 mins by scintillation counting B 5.42 pIC50 >3800 nM IC50 J Med Chem (2018) 61: 2133-2165 [PMID:28731336]
ChEMBL Inhibition of rat DAT B 5.43 pIC50 3700 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 2312-2314 [PMID:22264475]
ChEMBL Displacement of 3H-WIN-35428 from DAT in rat striata after 120 mins B 5.43 pIC50 3700 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 3751-3753 [PMID:22546675]
ChEMBL Inhibition of rat DAT B 5.43 pIC50 3700 nM IC50 Eur. J. Med. Chem. (2012) 54: 949-951 [PMID:22749190]
Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4]
ChEMBL Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand B 5 pKi >10000 nM Ki J. Med. Chem. (2004) 47: 5821-5824 [PMID:15537337]
ChEMBL Inhibition of rat brain NET assessed as reduction of [3H]-NE re-uptake preincubated for 30 mins followed by [3H]-NE addition measured after 5 mins by scintillation counting B 5 pIC50 >10000 nM IC50 J Med Chem (2018) 61: 2133-2165 [PMID:28731336]
Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380]
ChEMBL Inhibition of rat NET-mediated norepinephrine reuptake B 4.19 pIC50 63900 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 2312-2314 [PMID:22264475]
ChEMBL Inhibition of rat NET-mediated norepinephrine reuptake B 4.19 pIC50 63900 nM IC50 Eur. J. Med. Chem. (2012) 54: 949-951 [PMID:22749190]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]