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Assay Detail

CHEMBL4605397

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ADMET
Inhibition of C-terminal His6-tagged rat DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assay
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Rattus norvegicus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydroorotate dehydrogenase (quinone), mitochondrial (CHEMBL2383)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
Kokkonda S, Deng X, White KL, El Mazouni F, White J, Shackleford DM, Katneni K, Chiu FCK, Barker H, McLaren J, Crighton E, Chen G, Angulo-Barturen I, Jimenez-Diaz MB, Ferrer S, Huertas-Valentin L, Martinez-Martinez MS, Lafuente-Monasterio MJ, Chittimalla R, Shahi SP, Wittlin S, Waterson D, Burrows JN, Matthews D, Tomchick D, Rathod PK, Palmer MJ, Charman SA, Phillips MA.
J Med Chem (2020) 63 : 4929 -4956
PubMed 32248693 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 6.57 7.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL973 TERIFLUNOMIDE 4.0 1 7.77
CHEMBL1956285 DSM-265 2.0 1 5.36
CHEMBL4642145 1 -
CHEMBL4649039 1 -
CHEMBL4636879 1 -
CHEMBL4633246 1 -
CHEMBL4636553 1 -
CHEMBL4635646 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL973 TERIFLUNOMIDE IC50 = 17.0 nM 7.77
CHEMBL1956285 DSM-265 IC50 = 4400.0 nM 5.36
CHEMBL4642145 IC50 > 100000.0 nM -
CHEMBL4649039 IC50 > 100000.0 nM -
CHEMBL4636879 IC50 > 100000.0 nM -
CHEMBL4633246 IC50 > 100000.0 nM -
CHEMBL4636553 IC50 > 100000.0 nM -
CHEMBL4635646 IC50 - -