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Compound Detail

CHEMBL6064025

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CC(C)(COc1ccccc1Cl)C(=O)N[C@H]1CCNC[C@@H]1F

Basic Information

ChEMBL ID CHEMBL6064025
Phase Preclinical
Structure Type MOL
InChI Key WCVFXAZOQKOVLK-STQMWFEESA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
2.56
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22ClFN2O2
MW 328.82
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.70

Activity Summary

IC50 2 meas. best 8.4
EC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.8 8.8 1.6 1
Somatostatin receptor type 4
CHEMBL1853
IC50 8.4 8.4 4.0 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