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Compound Detail

CHEMBL5899589

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

Basic Information

ChEMBL ID CHEMBL5899589
Phase Preclinical
Structure Type MOL
InChI Key AKXSLFQLLMSPLW-UKRRQHHQSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.9
MW (Da)
3.20
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27ClN2O2
MW 338.88
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.82

Activity Summary

IC50 2 meas. best 7.4
EC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.1 8.1 7.9 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.4 7.4 39.8 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