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Compound Detail

CHEMBL6017778

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C[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL6017778
Phase Preclinical
Structure Type MOL
InChI Key HRDHWJSFJWGYQG-TZMCWYRMSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
2.96
ALogP
4
HBA
1
HBD
54.5
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 C18H26F3N3O2
MW 373.42
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.95

Activity Summary

IC50 4 meas. best 7.0
EC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.0 7.3333 10.0 3
Somatostatin receptor type 4
CHEMBL1853
IC50 7.0 7.0 100.0 2
Somatostatin receptor type 1
CHEMBL1917
IC50 5.1 5.1 7943.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine