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Compound Detail

CHEMBL5841698

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C[C@@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C

Basic Information

ChEMBL ID CHEMBL5841698
Phase Preclinical
Structure Type MOL
InChI Key PAZHTQRFSKYTCX-OLZOCXBDSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26F3N3O2
MW 373.42
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.91

Activity Summary

EC50 2 meas. best 7.9
IC50 2 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.9 7.4 12.6 2
Somatostatin receptor type 4
CHEMBL1853
IC50 7.2 7.2 63.1 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