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Compound Detail

CHEMBL5748655

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C[C@@H]1C[C@H](NC(=O)C(F)(F)COc2ncccc2OC(F)(F)F)CCN1

Basic Information

ChEMBL ID CHEMBL5748655
Phase Preclinical
Structure Type MOL
InChI Key UPIMFAVTPBNCTL-NXEZZACHSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
2.25
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18F5N3O3
MW 383.32
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.74

Activity Summary

IC50 2 meas. best 7.4
EC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.6 8.6 2.5 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.4 7.4 39.8 1
Somatostatin receptor type 1
CHEMBL1917
IC50 4.5 4.5 31623.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine