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Compound Detail

CHEMBL5954140

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CN1CC(NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)C2(CC2)C1

Basic Information

ChEMBL ID CHEMBL5954140
Phase Preclinical
Structure Type MOL
InChI Key VQIVWSNMSFGOPN-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.72
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24F3N3O2
MW 371.40
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.53

Activity Summary

IC50 2 meas. best 7.2
EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.0 8.0 10.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.2 7.2 63.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.7 5.7 1995.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine