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Compound Detail

CHEMBL315061

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O=c1c2ccccc2ccn1CC1(O)CC2NCCC[C@@H]2O1

Basic Information

ChEMBL ID CHEMBL315061
Phase Preclinical
Structure Type MOL
InChI Key CDWCPJMXYFNMJW-CKDBGZEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.23
ALogP
5
HBA
2
HBD
63.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
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 0.63

Activity Summary

EC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 2100.0 nM 5.68 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