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Compound Detail

CHEMBL6040848

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C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C1CC1

Basic Information

ChEMBL ID CHEMBL6040848
Phase Preclinical
Structure Type MOL
InChI Key TUCJEPGZRYRDEW-FZMZJTMJSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.09
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23F2N3O2
MW 339.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 9.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.2 9.2 0.6 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 4.9 4.9 12589.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine