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Compound Detail

CHEMBL6048061

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CCc1ccccc1OCC(C)(C)C(=O)NC1CCN(CC(=O)c2ccc(Cl)cc2)CC1

Basic Information

ChEMBL ID CHEMBL6048061
Phase Preclinical
Structure Type MOL
InChI Key SUNPVTURBDMXEP-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.0
MW (Da)
4.77
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33ClN2O3
MW 457.01
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.29

Activity Summary

IC50 2 meas. best 8.0
EC50 1 meas. best 9.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.2 9.2 0.6 1
Somatostatin receptor type 4
CHEMBL1853
IC50 8.0 8.0 10.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 4.8 4.8 15849.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine