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Compound Detail

CHEMBL420238

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O=C(CC1NCCC[C@@H]1O)Cn1ccc2ccccc2c1=O

Basic Information

ChEMBL ID CHEMBL420238
Phase Preclinical
Structure Type MOL
InChI Key ZTCCPWIJRZKNSC-LYKKTTPLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.07
ALogP
5
HBA
2
HBD
71.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O3
MW 300.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.31

Activity Summary

EC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 500.0 nM 6.3 In vitro antimalarial activity against the Plasmodium falciparum FCR3 12036365

Literature References

PubMed DOI Target Context # Activities
12036365 10.1021/jm010448q FM3A 2
12036365 10.1021/jm010448q Unchecked 1

Data from ChEMBL 36 via Core Engine