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Compound Detail

CHEMBL181051

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CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181051
Phase Preclinical
Structure Type MOL
InChI Key PQLFOYJTEWVCHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
3.95
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.63
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 C27H37N3O3
MW 451.61
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.73

Activity Summary

EC50 1 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
 EC50 6.59 6.59 257.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Growth hormone secretagogue receptor type 1 EC50 = 257.0 nM 6.59 In vitro effective concentration against human growth hormone secretagogues 15780609

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