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Compound Detail

CHEMBL6008758

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C[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F

Basic Information

ChEMBL ID CHEMBL6008758
Phase Preclinical
Structure Type MOL
InChI Key HAMQZECNCNFILJ-VXGBXAGGSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.45
ALogP
5
HBA
1
HBD
63.7
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 C17H24F3N3O3
MW 375.39
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 6.5
EC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.6 7.6 25.1 1
Somatostatin receptor type 4
CHEMBL1853
IC50 6.5 6.5 316.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.4 5.4 3981.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine