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Compound Detail

CHEMBL5862026

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CC[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5862026
Phase Preclinical
Structure Type MOL
InChI Key DPELDKGRMRSMKY-UKRRQHHQSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.35
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28F3N3O2
MW 387.45
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 8.0
EC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.7 8.7 2.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 8.0 8.0 10.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.8 5.8 1585.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine