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Compound Detail

CHEMBL5815326

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CN1CCC(NC(=O)C(C)(C)COc2ccccc2C2CC2)CC1

Basic Information

ChEMBL ID CHEMBL5815326
Phase Preclinical
Structure Type MOL
InChI Key IJEMMOZOZUOMBB-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
3.18
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O2
MW 330.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.4 8.4 4.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.5 5.5 3162.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine