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Compound Detail

CHEMBL482203

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CNC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccc(C)o3)cc2)C1

Basic Information

ChEMBL ID CHEMBL482203
Phase Preclinical
Structure Type MOL
InChI Key RXJTYVLXDZYFPB-IJHRGXPZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
2.62
ALogP
5
HBA
1
HBD
82.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O4S
MW 431.56
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19128969 10.1016/j.bmcl.2008.12.042 Growth hormone secretagogue receptor type 1 2

Data from ChEMBL 36 via Core Engine