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Compound Detail

CHEMBL3319277

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CS(=O)(=O)c1ccc2sc(NC(=O)NC(=O)c3ccccc3Cl)nc2c1

Basic Information

ChEMBL ID CHEMBL3319277
Phase Preclinical
Structure Type MOL
InChI Key OSFNGKIKONTFOH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
3.32
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN3O4S2
MW 409.88
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.66

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
IC50 5.33 5.33 4700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24967667 10.1021/jm500610n Growth hormone secretagogue receptor type 1 2
24967667 10.1021/jm500610n No relevant target 2

Data from ChEMBL 36 via Core Engine