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Compound Detail

CHEMBL3319281

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CN1CCN(CCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1

Basic Information

ChEMBL ID CHEMBL3319281
Phase Preclinical
Structure Type MOL
InChI Key LCQUSJOCGWZBHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

522.0
MW (Da)
2.93
ALogP
8
HBA
2
HBD
111.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN5O4S2
MW 522.05
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -2.51

Activity Summary

IC50 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
IC50 7.08 7.08 83.0 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