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Compound Detail

CHEMBL5747308

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CN1CCC(NC(=O)C(C)(C)COc2ccccc2C(F)(F)F)CC1

Basic Information

ChEMBL ID CHEMBL5747308
Phase Preclinical
Structure Type MOL
InChI Key VQNJQICRAOFCSZ-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.32
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25F3N2O2
MW 358.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 7.0
EC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.9 7.9 12.6 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.0 7.0 100.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.1 5.1 7943.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine