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Compound Detail

CHEMBL260978

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Cc1cccc(-c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260978
Phase Preclinical
Structure Type MOL
InChI Key GFJKNHKOZLFIJW-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
6.47
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14Cl2O2
MW 345.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.59

Activity Summary

EC50 2 meas. best 5.46
IC50 2 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Enoyl-acyl-carrier protein reductase
CHEMBL4150
 IC50 6.64 6.64 230.0 2
Plasmodium falciparum
CHEMBL364
 EC50 5.46 5.335 3500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Enoyl-acyl-carrier protein reductase IC50 = 230.0 nM 6.64 Inhibition of Plasmodium falciparum ENR 17567585
Enoyl-acyl-carrier protein reductase IC50 = 230.0 nM 6.64 Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase 19217192
Plasmodium falciparum EC50 = 3500.0 nM 5.46 Antimalarial activity against Plasmodium falciparum 3D7 by reduced [3H]hypoxanth... 17567585
Plasmodium falciparum EC50 = 6100.0 nM 5.21 Antimalarial activity against Plasmodium falciparum Dd2 by reduced [3H]hypoxanth... 17567585

Literature References

PubMed DOI Target Context # Activities
17567585 10.1074/jbc.m701813200 Plasmodium falciparum 2
17567585 10.1074/jbc.m701813200 Enoyl-acyl-carrier protein reductase 1
19217192 10.1016/j.ejmech.2008.12.028 Enoyl-acyl-carrier protein reductase 1

Data from ChEMBL 36 via Core Engine