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Compound Detail

CHEMBL3319282

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CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1

Basic Information

ChEMBL ID CHEMBL3319282
Phase Preclinical
Structure Type MOL
InChI Key JZNJIBSGZUYYIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

474.9
MW (Da)
4.11
ALogP
7
HBA
2
HBD
110.2
PSA (Ų)
0.46
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 C20H15ClN4O4S2
MW 474.95
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.77

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
IC50 7.64 7.64 23.0 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 1
24967667 10.1021/jm500610n No relevant target 1

Data from ChEMBL 36 via Core Engine