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Assay Detail

CHEMBL2396489

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ADMET
Inhibition of CYP2C9 in human liver microsomes after 30 mins
39
Total Activities
39
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Tissue Liver
Subcellular Microsome
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 2C9 (CHEMBL3397)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.
Gunzner-Toste J, Zhao G, Bauer P, Baumeister T, Buckmelter AJ, Caligiuri M, Clodfelter KH, Fu B, Han B, Ho YC, Kley N, Liang X, Liederer BM, Lin J, Mukadam S, O'Brien T, Oh A, Reynolds DJ, Sharma G, Skelton N, Smith CC, Sodhi J, Wang W, Wang Z, Xiao Y, Yuen PW, Zak M, Zhang L, Zheng X, Bair KW, Dragovich PS.
Bioorg Med Chem Lett (2013) 23 : 3531 -3538
PubMed 23668988 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 39 6.30 7.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2391572 1 7.17
CHEMBL2393185 1 7.13
CHEMBL2393168 1 6.96
CHEMBL2393176 1 6.90
CHEMBL2391551 1 6.86
CHEMBL2393188 1 6.83
CHEMBL2391567 1 6.70
CHEMBL2393187 1 6.34
CHEMBL2393186 1 6.29
CHEMBL2393159 1 6.26
CHEMBL2393191 1 6.22
CHEMBL2393177 1 6.19
CHEMBL2393190 1 6.12
CHEMBL2393167 1 6.03
CHEMBL2393158 1 5.98
CHEMBL2393160 1 5.94
CHEMBL2393180 1 5.89
CHEMBL2393182 1 5.75
CHEMBL2393178 1 5.71
CHEMBL2393166 1 5.66
CHEMBL2393192 1 5.34
CHEMBL2393174 1 -
CHEMBL2393175 1 -
CHEMBL2393171 1 -
CHEMBL2393193 1 -
CHEMBL2393179 1 -
CHEMBL2393170 1 -
CHEMBL2393172 1 -
CHEMBL2393181 1 -
CHEMBL2393183 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2391572 IC50 = 68.0 nM 7.17
CHEMBL2393185 IC50 = 74.0 nM 7.13
CHEMBL2393168 IC50 = 110.0 nM 6.96
CHEMBL2393176 IC50 = 125.0 nM 6.90
CHEMBL2391551 IC50 = 139.0 nM 6.86
CHEMBL2393188 IC50 = 149.0 nM 6.83
CHEMBL2391567 IC50 = 200.0 nM 6.70
CHEMBL2393187 IC50 = 460.0 nM 6.34
CHEMBL2393186 IC50 = 515.0 nM 6.29
CHEMBL2393159 IC50 = 554.0 nM 6.26
CHEMBL2393191 IC50 = 601.0 nM 6.22
CHEMBL2393177 IC50 = 644.0 nM 6.19
CHEMBL2393190 IC50 = 750.0 nM 6.12
CHEMBL2393167 IC50 = 930.0 nM 6.03
CHEMBL2393158 IC50 = 1050.0 nM 5.98
CHEMBL2393160 IC50 = 1140.0 nM 5.94
CHEMBL2393180 IC50 = 1300.0 nM 5.89
CHEMBL2393182 IC50 = 1770.0 nM 5.75
CHEMBL2393178 IC50 = 1960.0 nM 5.71
CHEMBL2393166 IC50 = 2180.0 nM 5.66
CHEMBL2393192 IC50 = 4600.0 nM 5.34
CHEMBL2393183 IC50 > 10000.0 nM -
CHEMBL2393165 IC50 > 10000.0 nM -
CHEMBL2393164 IC50 > 10000.0 nM -
CHEMBL2393163 IC50 > 10000.0 nM -
CHEMBL2393162 IC50 > 10000.0 nM -
CHEMBL2393161 IC50 > 10000.0 nM -
CHEMBL2393189 IC50 > 10000.0 nM -
CHEMBL2393173 IC50 > 10000.0 nM -
CHEMBL2393169 IC50 > 10000.0 nM -
CHEMBL2393184 IC50 - -
CHEMBL2393181 IC50 > 10000.0 nM -
CHEMBL2393172 IC50 > 10000.0 nM -
CHEMBL2393170 IC50 > 10000.0 nM -
CHEMBL2393179 IC50 > 10000.0 nM -
CHEMBL2393193 IC50 > 10000.0 nM -
CHEMBL2393171 IC50 > 10000.0 nM -
CHEMBL2393175 IC50 > 10000.0 nM -
CHEMBL2393174 IC50 > 10000.0 nM -