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Compound Detail

CHEMBL5289412

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c1ccc(-c2cccc(CNCCCNCCCCCCCNCCCNCc3cccc(-c4ccccc4)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289412
Phase Preclinical
Structure Type MOL
InChI Key CTDMTYLADMPEGG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.9
MW (Da)
7.81
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H52N4
MW 576.87
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei
CHEMBL612849
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei IC50 = 1000.0 nM 6.0 Antiprotozoal activity against Trypanosoma brucei 28886510

Literature References

PubMed DOI Target Context # Activities
28886510 10.1016/j.ejmech.2017.08.014 Trypanosoma brucei 1

Data from ChEMBL 36 via Core Engine