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Compound Detail

CHEMBL521264

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N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521264
Phase Preclinical
Structure Type MOL
InChI Key VCIQCNZAYARWAK-HIFRSBDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.3
MW (Da)
1.55
ALogP
4
HBA
1
HBD
83.7
PSA (Ų)
0.81
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 C16H22BrN3O3S
MW 416.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.68

Activity Summary

EC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
 EC50 6.4 6.4 398.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Growth hormone secretagogue receptor type 1 EC50 = 398.11 nM 6.4 Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay 19128969

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