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Compound Detail

CHEMBL3937165

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Clc1cc(Cl)cc(CCN2CCCC(c3nc4nc(Cl)ccc4[nH]3)C2)c1

Basic Information

ChEMBL ID CHEMBL3937165
Phase Preclinical
Structure Type MOL
InChI Key UOUCBDPVUVOBCP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.8
MW (Da)
5.34
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19Cl3N4
MW 409.75
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.28

Activity Summary

EC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 5.42 5.42 3763.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 3763.0 nM 5.42 Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms asses... 27788467

Literature References

PubMed DOI Target Context # Activities
27788467 10.1016/j.ejmech.2016.10.024 Unchecked 2
27788467 10.1016/j.ejmech.2016.10.024 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine