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Compound Detail

CHEMBL5999092

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CC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@H]1[C@@H]2CNC[C@@H]21

Basic Information

ChEMBL ID CHEMBL5999092
Phase Preclinical
Structure Type MOL
InChI Key UVQOAIKFJAHEPD-IWIIMEHWSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
1.84
ALogP
4
HBA
2
HBD
63.2
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 C16H20F3N3O2
MW 343.35
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.83

Activity Summary

Ki 3 meas. best 7.16
EC50 2 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.39 8.39 4.1 2
Somatostatin receptor type 4
CHEMBL1853
Ki 7.16 7.16 68.9 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine