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Compound Detail

CHEMBL5592741

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CN1C(=O)c2c(F)cncc2N2C(=O)CCC12C(=O)Nc1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL5592741
Phase Preclinical
Structure Type MOL
InChI Key NFBOYNUJGWJQHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.8
MW (Da)
2.42
ALogP
4
HBA
1
HBD
82.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClFN4O3
MW 388.79
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.4 6.4 395.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39134060 10.1021/acs.jmedchem.4c01241 Plasmodium falciparum 1
39134060 10.1021/acs.jmedchem.4c01241 HepG2 1

Data from ChEMBL 36 via Core Engine