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Compound Detail

CHEMBL406412

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[Cl-].c1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc4c(c3)OCO4)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406412
Phase Preclinical
Structure Type MOL
InChI Key ULGDAHJBNSCKFG-UHFFFAOYSA-M
Parent Compound CHEMBL1185308
Active Moiety CHEMBL1185308
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.56
ALogP
5
HBA
1
HBD
47.3
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 C21H16ClN3O2S
MW 409.90
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.62

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18226906 10.1016/j.bmc.2007.12.049 Trypanosoma cruzi 3
18226906 10.1016/j.bmc.2007.12.049 ADMET 1

Data from ChEMBL 36 via Core Engine