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Compound Detail

CHEMBL5791465

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Cc1ncc(C(C)(C)NC(=O)[C@H]2[C@@H]3CNC[C@@H]32)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5791465
Phase Preclinical
Structure Type MOL
InChI Key LKXWUBRVYCCGQQ-QLPKVWCKSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.36
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 C19H23N3O
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.35

Activity Summary

Ki 6 meas. best 8.92
EC50 2 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 9.52 9.52 0.3 2
Somatostatin receptor type 4
CHEMBL1853
 Ki 8.92 8.92 1.2 3
Somatostatin receptor type 1
CHEMBL1917
 Ki 6.29 6.29 508.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 0.3 nM 9.52 AMP Assay with Human Somatostatin 4 Receptor: The activation of the SSTR4 recept... -
Somatostatin receptor type 4 EC50 = 0.3 nM 9.52 cAMP ASSAY: The activation of the SSTR4 receptor (Gi coupled) causes an inhibiti... -
Somatostatin receptor type 4 Ki = 1.2 nM 8.92 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 4 Ki = 1.2 nM 8.92 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 4 Ki = 1.2 nM 8.92 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -
Somatostatin receptor type 1 Ki = 508.0 nM 6.29 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 1 Ki = 508.0 nM 6.29 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 1 Ki = 508.0 nM 6.29 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -

Data from ChEMBL 36 via Core Engine