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Compound Detail

CHEMBL5855972

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CC(C)[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5855972
Phase Preclinical
Structure Type MOL
InChI Key YFWXVPJSMCIFKM-ZBFHGGJFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.60
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30F3N3O2
MW 401.47
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.75

Activity Summary

EC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 0.794 nM 9.1 Inhibition of Forskolin Stimulated cAMP in Cells Overexpressing SSTR4: This cell... -

Data from ChEMBL 36 via Core Engine