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Compound Detail

CHEMBL404354

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Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404354
Phase Preclinical
Structure Type MOL
InChI Key AXABYTPCUMEGOG-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
0.59
ALogP
10
HBA
4
HBD
166.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35N7O5
MW 477.57
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 9.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
 EC50 9.29 9.29 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Growth hormone secretagogue receptor type 1 EC50 = 0.51 nM 9.29 Inhibition of human growth hormone secretagogue receptor assessed as measuring i... 18295486

Literature References

PubMed DOI Target Context # Activities
18295486 10.1016/j.bmcl.2008.02.021 Growth hormone secretagogue receptor type 1 1
18295486 10.1016/j.bmcl.2008.02.021 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine