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Compound Detail

CHEMBL482204

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Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CCCNCC3)cc2)o1

Basic Information

ChEMBL ID CHEMBL482204
Phase Preclinical
Structure Type MOL
InChI Key TXQVKRDQIDOKEO-FQEVSTJZSA-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)
0.80
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 C22H29N3O4S
MW 431.56
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.50

Activity Summary

EC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
EC50 8.1 8.1 7.9 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