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Compound Detail

CHEMBL3137641

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Fc1ccc(C(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)N2CCOCC2)cc1F

Basic Information

ChEMBL ID CHEMBL3137641
Phase Preclinical
Structure Type MOL
InChI Key MTYMSRWFPISKOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)
4.12
ALogP
8
HBA
0
HBD
74.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F4N5O3
MW 503.46
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.96

Activity Summary

EC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.21 6.21 613.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 613.3 nM 6.21 OSM: Erythrocyte assay. NF54 with 3H-Hypoxanthine at 72hr time point. -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3137547 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine