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Compound Detail

CHEMBL5593134

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CN1C(=O)c2ccc(N3CCCCC3)cc2N2C(=O)CCC12C(=O)Nc1cncc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5593134
Phase Preclinical
Structure Type MOL
InChI Key IKVALJJXHFBYGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
3.27
ALogP
5
HBA
1
HBD
85.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN5O3
MW 453.93
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 230.0 nM 6.64 Antiplasmodial activity against asexual Plasmodium falciparum 3D7 incubated for ... 39134060

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