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Compound Detail

CHEMBL5843160

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Cc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCNC[C@H]2F)c(C)c1

Basic Information

ChEMBL ID CHEMBL5843160
Phase Preclinical
Structure Type MOL
InChI Key MZQGLZHSAPWTKF-ZIAGYGMSSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.92
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26FN3O2
MW 323.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.56

Activity Summary

EC50 1 meas. best 8.2
IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.2 8.2 6.3 1
Somatostatin receptor type 4
CHEMBL1853
IC50 6.8 6.8 158.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine