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Compound Detail

CHEMBL4474825

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N#Cc1cccc(Nc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)nn4ncccc34)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474825
Phase Preclinical
Structure Type MOL
InChI Key ZOKVWKVAANFGCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

457.4
MW (Da)
5.49
ALogP
7
HBA
1
HBD
91.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H14F3N7
MW 457.42
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.72

Activity Summary

EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 EC50 6.2 6.2 631.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei EC50 = 630.96 nM 6.2 Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... 31846577

Literature References

PubMed DOI Target Context # Activities
31846577 10.1021/acs.jmedchem.9b01741 ADMET 3
31846577 10.1021/acs.jmedchem.9b01741 No relevant target 2
31846577 10.1021/acs.jmedchem.9b01741 Trypanosoma brucei brucei 1
31846577 10.1021/acs.jmedchem.9b01741 MRC5 1

Data from ChEMBL 36 via Core Engine