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Compound Detail

CHEMBL583404

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COC(c1ccc(Cl)cc1)(c1ccc2cncc(-c3cccc(Cl)c3)c2c1)c1cncn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583404
Phase Preclinical
Structure Type MOL
InChI Key NWYPASVRRCFSSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.4
MW (Da)
6.88
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.28
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 C27H21Cl2N3O
MW 474.39
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.59

Activity Summary

EC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 EC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 0.5 nM 9.3 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