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Compound Detail

CHEMBL4779560

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CSc1nc2cc(Cl)c(C(=O)Nc3ncc([N+](=O)[O-])s3)cc2n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779560
Phase Preclinical
Structure Type MOL
InChI Key JIYYKVQJBOLSDC-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.8
MW (Da)
3.57
ALogP
8
HBA
1
HBD
103.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10ClN5O3S2
MW 383.84
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.69

Activity Summary

IC50 6 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 8.0 7.8583 10.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 10.0 nM 8.0 Antigiardial activity against Giardia intestinalis WB incubated for 48 hrs by he... 32869995
Giardia intestinalis IC50 = 10.0 nM 8.0 Antigiardial activity against Giardia intestinalis WB30957 incubated for 48 hrs ... 32869995
Giardia intestinalis IC50 = 10.0 nM 8.0 Antigiardial activity against Giardia intestinalis IMSS-1090-1 incubated for 48 ... 32869995
Giardia intestinalis IC50 = 10.0 nM 8.0 Antigiardial activity against Giardia intestinalis UNAM-0688-2 incubated for 48 ... 32869995
Giardia intestinalis IC50 = 10.0 nM 8.0 Antigiardial activity against Giardia intestinalis BRIS/91/HEPU/1411 incubated f... 32869995
Giardia intestinalis IC50 = 71.0 nM 7.15 Antigiardial activity against Giardia intestinalis N1-INP incubated for 48 hrs f... 32869995

Literature References

PubMed DOI Target Context # Activities
32869995 10.1021/acs.jmedchem.0c00910 Giardia intestinalis 6

Data from ChEMBL 36 via Core Engine