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Compound Detail

CHEMBL4763266

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O=C(NCCN1CCCC1)c1cc(-c2ccc(C(=O)N3CCOCC3)cc2)nc2ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763266
Phase Preclinical
Structure Type MOL
InChI Key QEWSHWVODFRTQG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
3.34
ALogP
5
HBA
1
HBD
74.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FN4O3
MW 476.55
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.98

Activity Summary

EC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 140.0 nM 6.85 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... 27631715

Literature References

PubMed DOI Target Context # Activities
27631715 10.1021/acs.jmedchem.6b00723 Plasmodium falciparum 1
27631715 10.1021/acs.jmedchem.6b00723 MRC5 1

Data from ChEMBL 36 via Core Engine