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Compound Detail

CHEMBL5770404

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CC(C)(COc1nccc2ccccc12)NC(=O)[C@H]1[C@@H]2CNC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5770404
Phase Preclinical
Structure Type MOL
InChI Key CEUWMQXUCXSHDO-ZSHCYNCHSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
1.97
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O2
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

Ki 6 meas. best 7.0
EC50 2 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 8.26 8.26 5.5 2
Somatostatin receptor type 4
CHEMBL1853
 Ki 7.0 7.0 100.0 3
Somatostatin receptor type 1
CHEMBL1917
 Ki 5.46 5.46 3460.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 5.5 nM 8.26 AMP Assay with Human Somatostatin 4 Receptor: The activation of the SSTR4 recept... -
Somatostatin receptor type 4 EC50 = 5.5 nM 8.26 cAMP ASSAY: The activation of the SSTR4 receptor (Gi coupled) causes an inhibiti... -
Somatostatin receptor type 4 Ki = 100.0 nM 7.0 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 4 Ki = 100.0 nM 7.0 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 4 Ki = 100.0 nM 7.0 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -
Somatostatin receptor type 1 Ki = 3460.0 nM 5.46 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 1 Ki = 3460.0 nM 5.46 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 1 Ki = 3460.0 nM 5.46 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -

Data from ChEMBL 36 via Core Engine