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Compound Detail

CHEMBL5828226

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Cc1nc(C(C)(C)NC(=O)[C@H]2[C@@H]3CNC[C@@H]32)c2cccc(C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5828226
Phase Preclinical
Structure Type MOL
InChI Key BFCUZZBVOGYAGS-FICVDOATSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.06
ALogP
4
HBA
2
HBD
66.9
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 C19H24N4O
MW 324.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

Activity Summary

Ki 6 meas. best 7.49
EC50 2 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 8.96 8.96 1.1 2
Somatostatin receptor type 4
CHEMBL1853
 Ki 7.49 7.49 32.3 3
Somatostatin receptor type 1
CHEMBL1917
 Ki 5.18 5.18 6670.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 1.1 nM 8.96 AMP Assay with Human Somatostatin 4 Receptor: The activation of the SSTR4 recept... -
Somatostatin receptor type 4 EC50 = 1.1 nM 8.96 cAMP ASSAY: The activation of the SSTR4 receptor (Gi coupled) causes an inhibiti... -
Somatostatin receptor type 4 Ki = 32.3 nM 7.49 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 4 Ki = 32.3 nM 7.49 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 4 Ki = 32.3 nM 7.49 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -
Somatostatin receptor type 1 Ki = 6670.0 nM 5.18 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 1 Ki = 6670.0 nM 5.18 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 1 Ki = 6670.0 nM 5.18 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -

Data from ChEMBL 36 via Core Engine