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Compound Detail

CHEMBL5745719

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Cc1ccccc1[C@@H]1CNCC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5745719
Phase Preclinical
Structure Type MOL
InChI Key VKVZKSAFENZDGC-PKOBYXMFSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
4.08
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28F3N3O2
MW 435.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.72

Activity Summary

IC50 2 meas. best 8.8
EC50 1 meas. best 9.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.9 9.9 0.1 1
Somatostatin receptor type 4
CHEMBL1853
IC50 8.8 8.8 1.6 1
Somatostatin receptor type 1
CHEMBL1917
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine