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Compound Detail

CHEMBL378834

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CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)c(C(F)(F)F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378834
Phase Preclinical
Structure Type MOL
InChI Key IWUXMVBNXZXYGF-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
4.99
ALogP
4
HBA
4
HBD
90.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F3N4O2
MW 442.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.33

Activity Summary

IC50 3 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L6
CHEMBL614793
 IC50 4.38 4.38 42200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L6 IC50 = 42200.0 nM 4.38 Cytotoxicity against rat L6 cells 16913722

Literature References

PubMed DOI Target Context # Activities
16913722 10.1021/jm060470p Mus musculus 2
16913722 10.1021/jm060470p L6 1
16913722 10.1021/jm060470p Plasmodium falciparum 1
16913722 10.1021/jm060470p Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine