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Compound Detail

CHEMBL4795669

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CC(C)(C#N)c1ccc(Nc2ncnc3c2CN(Cc2ccccc2)CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4795669
Phase Preclinical
Structure Type MOL
InChI Key HQTSWJZAVRJAAH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
4.58
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5
MW 383.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 EC50 4.6 4.6 25118.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei EC50 = 25118.86 nM 4.6 Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... 33479690

Literature References

PubMed DOI Target Context # Activities
33479690 10.1039/d0md00103a Trypanosoma brucei brucei 1
33479690 10.1039/d0md00103a MRC5 1
33479690 10.1039/d0md00103a No relevant target 1

Data from ChEMBL 36 via Core Engine