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Compound Detail

CHEMBL182137

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CCN(CC)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C

Basic Information

ChEMBL ID CHEMBL182137
Phase Preclinical
Structure Type MOL
InChI Key HEQVZMNUPDVZKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
4.56
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39N3O4
MW 481.64
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.84

Activity Summary

EC50 1 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
EC50 7.71 7.71 19.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15780609 10.1016/j.bmcl.2005.02.040 Growth hormone secretagogue receptor type 1 1

Data from ChEMBL 36 via Core Engine