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Compound Detail

CHEMBL567210

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COC(c1ccc(Cl)cc1)(c1ccc2cncc(-c3c(F)cccc3F)c2c1)c1cncn1C

Basic Information

ChEMBL ID CHEMBL567210
Phase Preclinical
Structure Type MOL
InChI Key NORYEFIWLWVYDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.9
MW (Da)
6.51
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20ClF2N3O
MW 475.93
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.68

Activity Summary

EC50 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
EC50 9.05 9.05 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 0.9 nM 9.05 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