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Compound Detail

CHEMBL566126

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COC(c1ccc(Cl)cc1)(c1ccc2cnccc2c1)c1cncn1C

Basic Information

ChEMBL ID CHEMBL566126
Phase Preclinical
Structure Type MOL
InChI Key XICPVJDPXPEWJJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.9
MW (Da)
4.56
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClN3O
MW 363.85
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.66

Activity Summary

EC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
EC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 120.0 nM 6.92 Antitrypanosomal activity against Trypanosoma cruzi Tulahuen infected in mouse 3... 19875282

Literature References

PubMed DOI Target Context # Activities
19875282 10.1016/j.bmcl.2009.10.029 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine