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Compound Detail

CHEMBL5939370

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CN1CCC(NC(=O)C(C)(C)COc2ccccc2OC(F)(F)F)CC1

Basic Information

ChEMBL ID CHEMBL5939370
Phase Preclinical
Structure Type MOL
InChI Key YTXODCPIQSBYGR-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.20
ALogP
4
HBA
1
HBD
50.8
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 C18H25F3N2O3
MW 374.40
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.00

Activity Summary

IC50 2 meas. best 7.8
EC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.7 8.7 2.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.8 7.8 15.8 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.6 5.6 2512.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine