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Compound Detail

CHEMBL5980093

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

Basic Information

ChEMBL ID CHEMBL5980093
Phase Preclinical
Structure Type MOL
InChI Key CKHPPGOBWAXROW-UWVGGRQHSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
2.11
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 -0.75

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.1 9.1 0.8 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 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