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Compound Detail

CHEMBL6005000

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C[C@H]1CNCC[C@@H]1NC(=O)C(C)(C)COc1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL6005000
Phase Preclinical
Structure Type MOL
InChI Key FAOZURGRTZUARV-JSGCOSHPSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.9
MW (Da)
2.86
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25ClN2O2
MW 324.85
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.62

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.8 9.8 0.2 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.3 5.3 5012.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine