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Assay Detail

CHEMBL4737875

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

Binding
Binding affinity to CARL M1050I mutant in multidrug-resistant Plasmodium falciparum infected in human O-postive erythrocytes assessed as inhibition of parasite growth measured after 72 hrs by SYBR Green 1 staining based fluorescence assay
8
Total Activities
7
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

Identification and Profiling of a Novel Diazaspiro[3.4]octane Chemical Series Active against Multiple Stages of the Human Malaria Parasite Plasmodium falciparum and Optimization Efforts.
Le Manach C,Dam J,Woodland JG,Kaur G,Khonde LP,Brunschwig C,Njoroge M,Wicht KJ,Horatscheck A,Paquet T,Boyle GA,Gibhard L,Taylor D,Lawrence N,Yeo T,Mok S,Eastman RT,Dorjsuren D,Talley DC,Guo H,Simeonov A,Reader J,van der Watt M,Erlank E,Venter N,Zawada JW,Aswat A,Nardini L,Coetzer TL,Lauterbach SB,Bezuidenhout BC,Theron A,Mancama D,Koekemoer LL,Birkholtz LM,Wittlin S,Delves M,Ottilie S,Winzeler EA,von Geldern TW,Smith D,Fidock DA,Street LJ,Basarab GS,Duffy J,Chibale K
J Med Chem (2021) 64 : 2291 -2309
PubMed 33573376 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 6.72 7.83

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2058833 GANAPLACIDE 2.0 1 7.83
CHEMBL2431809 1 7.79
CHEMBL4784415 1 6.88
CHEMBL4759714 1 6.74
CHEMBL4743418 1 6.48
CHEMBL4764956 1 6.42
CHEMBL4745404 2 5.86

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2058833 GANAPLACIDE IC50 = 14.8 nM 7.83
CHEMBL2431809 IC50 = 16.4 nM 7.79
CHEMBL4784415 IC50 = 131.0 nM 6.88
CHEMBL4759714 IC50 = 180.7 nM 6.74
CHEMBL4743418 IC50 = 332.1 nM 6.48
CHEMBL4764956 IC50 = 376.9 nM 6.42
CHEMBL4745404 IC50 = 1373.5 nM 5.86
CHEMBL4745404 IC50 = 1692.7 nM 5.77