Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL4812655

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method
ChEMBL ↗
163
Total Activities
107
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium falciparum
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
Palmer MJ, Deng X, Watts S, Krilov G, Gerasyuto A, Kokkonda S, El Mazouni F, White J, White KL, Striepen J, Bath J, Schindler KA, Yeo T, Shackleford DM, Mok S, Deni I, Lawong A, Huang A, Chen G, Wang W, Jayaseelan J, Katneni K, Patil R, Saunders J, Shahi SP, Chittimalla R, Angulo-Barturen I, Jiménez-Díaz MB, Wittlin S, Tumwebaze PK, Rosenthal PJ, Cooper RA, Aguiar ACC, Guido RVC, Pereira DB, Mittal N, Winzeler EA, Tomchick DR, Laleu B, Burrows JN, Rathod PK, Fidock DA, Charman SA, Phillips MA.
J Med Chem (2021) 64 : 6085 -6136
PubMed 33876936 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 163 6.08 8.21

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4847032 — — 1 8.21
CHEMBL4855152 — — 1 7.96
CHEMBL4856991 — — 1 7.96
CHEMBL4847652 — — 1 7.96
CHEMBL4871281 — — 2 7.82
CHEMBL4878940 — — 1 7.80
CHEMBL4855268 — — 1 7.80
CHEMBL4854927 — — 2 7.80
CHEMBL4858118 — — 1 7.72
CHEMBL4633246 — — 1 7.70
CHEMBL4858336 — — 3 7.70
CHEMBL4850366 — — 1 7.68
CHEMBL4855439 — — 1 7.64
CHEMBL1956291 — — 1 7.52
CHEMBL4857890 — — 1 7.52
CHEMBL4846297 — — 2 7.47
CHEMBL4861785 — — 1 7.46
CHEMBL4850950 — — 1 7.44
CHEMBL4635646 — — 1 7.36
CHEMBL4851506 — — 2 7.36
CHEMBL4850393 — — 3 7.34
CHEMBL4858062 — — 2 7.34
CHEMBL4877462 — — 1 7.33
CHEMBL4850116 — — 3 7.33
CHEMBL4846204 — — 2 7.24
CHEMBL4847990 — — 2 7.19
CHEMBL4854490 — — 1 7.16
CHEMBL4876457 — — 3 7.16
CHEMBL4857082 — — 2 7.15
CHEMBL4864218 — — 2 7.14

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4847032 — IC50 = 6.1 nM 8.21
CHEMBL4855152 — IC50 = 11.0 nM 7.96
CHEMBL4847652 — IC50 = 11.0 nM 7.96
CHEMBL4856991 — IC50 = 11.0 nM 7.96
CHEMBL4871281 — IC50 = 15.0 nM 7.82
CHEMBL4878940 — IC50 = 16.0 nM 7.80
CHEMBL4855268 — IC50 = 16.0 nM 7.80
CHEMBL4854927 — IC50 = 16.0 nM 7.80
CHEMBL4858118 — IC50 = 19.0 nM 7.72
CHEMBL4633246 — IC50 = 20.0 nM 7.70
CHEMBL4858336 — IC50 = 20.0 nM 7.70
CHEMBL4850366 — IC50 = 21.0 nM 7.68
CHEMBL4855439 — IC50 = 23.0 nM 7.64
CHEMBL1956291 — IC50 = 30.0 nM 7.52
CHEMBL4857890 — IC50 = 30.0 nM 7.52
CHEMBL4858336 — IC50 = 34.0 nM 7.47
CHEMBL4846297 — IC50 = 34.0 nM 7.47
CHEMBL4861785 — IC50 = 35.0 nM 7.46
CHEMBL4850950 — IC50 = 36.0 nM 7.44
CHEMBL4635646 — IC50 = 44.0 nM 7.36
CHEMBL4851506 — IC50 = 44.0 nM 7.36
CHEMBL4850393 — IC50 = 46.0 nM 7.34
CHEMBL4858062 — IC50 = 46.0 nM 7.34
CHEMBL4850393 — IC50 = 47.0 nM 7.33
CHEMBL4877462 — IC50 = 47.0 nM 7.33
CHEMBL4850116 — IC50 = 47.0 nM 7.33
CHEMBL4846204 — IC50 = 57.0 nM 7.24
CHEMBL4850116 — IC50 = 61.0 nM 7.21
CHEMBL4847990 — IC50 = 65.0 nM 7.19
CHEMBL4876457 — IC50 = 69.0 nM 7.16
CHEMBL4854490 — IC50 = 70.0 nM 7.16
CHEMBL4857082 — IC50 = 71.0 nM 7.15
CHEMBL4864218 — IC50 = 73.0 nM 7.14
CHEMBL4878579 — IC50 = 79.0 nM 7.10
CHEMBL4849154 — IC50 = 79.0 nM 7.10
CHEMBL4851471 — IC50 = 86.0 nM 7.07
CHEMBL4856887 — IC50 = 87.0 nM 7.06
CHEMBL4869753 — IC50 = 88.0 nM 7.06
CHEMBL4853952 — IC50 = 95.0 nM 7.02
CHEMBL4848632 — IC50 = 95.0 nM 7.02
CHEMBL4872774 — IC50 = 100.0 nM 7.00
CHEMBL4858790 — IC50 = 100.0 nM 7.00
CHEMBL4856258 — IC50 = 110.0 nM 6.96
CHEMBL4878824 — IC50 = 110.0 nM 6.96
CHEMBL4851832 — IC50 = 110.0 nM 6.96
CHEMBL4855411 — IC50 = 110.0 nM 6.96
CHEMBL4869576 — IC50 = 120.0 nM 6.92
CHEMBL4863410 — IC50 = 120.0 nM 6.92
CHEMBL4874425 — IC50 = 120.0 nM 6.92
CHEMBL4860884 — IC50 = 120.0 nM 6.92