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Compound Detail

CHEMBL5920986

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C[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F

Basic Information

ChEMBL ID CHEMBL5920986
Phase Preclinical
Structure Type MOL
InChI Key IHRBYCRDSUMVII-CHWSQXEVSA-N
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
2.84
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26F3N3O3
MW 389.42
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.91

Activity Summary

IC50 4 meas. best 7.5
EC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.4 7.6 4.0 2
Somatostatin receptor type 4
CHEMBL1853
IC50 7.5 6.8 31.6 2
Somatostatin receptor type 1
CHEMBL1917
IC50 5.3 5.0 5012.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine