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Compound Detail

CHEMBL5966099

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CC(C)(NC(=O)[C@H]1[C@@H]2CNC[C@@H]21)c1nccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5966099
Phase Preclinical
Structure Type MOL
InChI Key FTCUKQUIRWJNFQ-FICVDOATSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.05
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O
MW 295.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.28

Activity Summary

Ki 6 meas. best 8.54
EC50 2 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 9.3 9.3 0.5 2
Somatostatin receptor type 4
CHEMBL1853
 Ki 8.54 8.54 2.9 3
Somatostatin receptor type 1
CHEMBL1917
 Ki 5.55 5.55 2820.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 0.5 nM 9.3 AMP Assay with Human Somatostatin 4 Receptor: The activation of the SSTR4 recept... -
Somatostatin receptor type 4 EC50 = 0.5 nM 9.3 cAMP ASSAY: The activation of the SSTR4 receptor (Gi coupled) causes an inhibiti... -
Somatostatin receptor type 4 Ki = 2.9 nM 8.54 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 4 Ki = 2.9 nM 8.54 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 4 Ki = 2.9 nM 8.54 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -
Somatostatin receptor type 1 Ki = 2820.0 nM 5.55 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 1 Ki = 2820.0 nM 5.55 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 1 Ki = 2820.0 nM 5.55 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -

Data from ChEMBL 36 via Core Engine