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Compound Detail

CHEMBL5858085

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O=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1OC(F)(F)F

Basic Information

ChEMBL ID CHEMBL5858085
Phase Preclinical
Structure Type MOL
InChI Key VGMATMOYFFGPAE-IUCAKERBSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.3
MW (Da)
1.81
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15F6N3O3
MW 387.28
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.75

Activity Summary

EC50 1 meas. best 8.1
IC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.1 8.1 7.9 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine