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Compound Detail

CHEMBL5869711

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CN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1

Basic Information

ChEMBL ID CHEMBL5869711
Phase Preclinical
Structure Type MOL
InChI Key LAGZWBYENUDHAI-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
2.99
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26F3N3O3
MW 401.43
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 7.3
EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.0 9.0 1.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.3 7.3 50.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine