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Compound Detail

CHEMBL5814161

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CC(C)[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F

Basic Information

ChEMBL ID CHEMBL5814161
Phase Preclinical
Structure Type MOL
InChI Key OYMRYSRGNIHNST-UONOGXRCSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.09
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28F3N3O3
MW 403.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.62

Activity Summary

IC50 2 meas. best 7.2
EC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.8 7.8 15.8 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.2 7.2 63.1 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