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Compound Detail

CHEMBL5423606

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CN(C)C(=O)c1cc(N2CCCC2=O)ccc1Sc1ccccc1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5423606
Phase Preclinical
Structure Type MOL
InChI Key MWMSJBVOFOOYBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
3.16
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O3S
MW 370.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 4.3 4.3 50118.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 50118.72 nM 4.3 Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes ass... 36626662

Literature References

PubMed DOI Target Context # Activities
36626662 10.1021/acs.jmedchem.2c01725 H9c2 1
36626662 10.1021/acs.jmedchem.2c01725 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine