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Compound Detail

CHEMBL361612

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CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1F)C(C)C

Basic Information

ChEMBL ID CHEMBL361612
Phase Preclinical
Structure Type MOL
InChI Key NGEFURRUCWYGGW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

531.7
MW (Da)
5.38
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.38
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38FN3O3
MW 531.67
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
EC50 7.75 7.75 17.8 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