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Compound Detail

CHEMBL5743973

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Cc1cccnc1OCC(C)(C)C(=O)N[C@H]1CN(C)CC12CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5743973
Phase Preclinical
Structure Type MOL
InChI Key YQEDDAHWROHYQX-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.01
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N3O2
MW 317.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 8.1

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

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 7.94 nM 8.1 Inhibition of Forskolin Stimulated cAMP in Cells Overexpressing SSTR4: This cell... -

Data from ChEMBL 36 via Core Engine