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Compound Detail

CHEMBL87920

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CC(=O)O[C@H]1CCCN(C(C)=O)C1CC(=O)Cn1cnc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87920
Phase Preclinical
Structure Type MOL
InChI Key LIVHHEISXZEVMF-GGYWPGCISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
1.30
ALogP
7
HBA
0
HBD
98.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O5
MW 385.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.13

Activity Summary

EC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.04 6.04 910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 910.0 nM 6.04 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