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Compound Detail

CHEMBL5984010

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O=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5984010
Phase Preclinical
Structure Type MOL
InChI Key FCDMSECAXJSFCU-STQMWFEESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
1.79
ALogP
4
HBA
2
HBD
63.2
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 C16H20F3N3O2
MW 343.35
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.56

Activity Summary

EC50 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 8.2 8.2 6.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 6.31 nM 8.2 Inhibition of Forskolin Stimulated cAMP in Cells Overexpressing SSTR4: This cell... -

Data from ChEMBL 36 via Core Engine