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Compound Detail

CHEMBL64359

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Cc1cc(Oc2ccccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

Basic Information

ChEMBL ID CHEMBL64359
Phase Preclinical
Structure Type MOL
InChI Key GFGARYPFCIQDDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
1.60
ALogP
4
HBA
2
HBD
124.8
PSA (Ų)
0.64
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 C16H17N3O4S
MW 347.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger
CHEMBL2096985
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9207943 10.1021/jm960768n Sodium/hydrogen exchanger 1
- 10.6019/CHEMBL5441142 Schistosoma mansoni 1

Data from ChEMBL 36 via Core Engine