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Compound Detail

CHEMBL5924029

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CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@H](c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL5924029
Phase Preclinical
Structure Type MOL
InChI Key HAWREVGGSODBMY-HKUYNNGSSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
4.11
ALogP
4
HBA
1
HBD
54.5
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 C23H28F3N3O2
MW 435.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.81

Activity Summary

IC50 2 meas. best 6.1
EC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.3 7.3 50.1 1
Somatostatin receptor type 4
CHEMBL1853
IC50 6.1 6.1 794.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.2 5.2 6310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine