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Compound Detail

CHEMBL5994657

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Cc1cccc2c(C(C)(C)NC(=O)[C@H]3[C@@H]4CNC[C@@H]43)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5994657
Phase Preclinical
Structure Type MOL
InChI Key BGHGBWNERBLKBL-ITGUQSILSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.69
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4O
MW 298.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.59

Activity Summary

Ki 6 meas. best 8.44
EC50 2 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 10.0 10.0 0.1 2
Somatostatin receptor type 4
CHEMBL1853
 Ki 8.44 8.44 3.6 3
Somatostatin receptor type 1
CHEMBL1917
 Ki 5.15 5.15 7030.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 0.1 nM 10.0 AMP Assay with Human Somatostatin 4 Receptor: The activation of the SSTR4 recept... -
Somatostatin receptor type 4 EC50 = 0.1 nM 10.0 cAMP ASSAY: The activation of the SSTR4 receptor (Gi coupled) causes an inhibiti... -
Somatostatin receptor type 4 Ki = 3.6 nM 8.44 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 4 Ki = 3.6 nM 8.44 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 4 Ki = 3.6 nM 8.44 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -
Somatostatin receptor type 1 Ki = 7030.0 nM 5.15 Radiogland Binding Assays: For the binding experiments 200 μL of membrane homoge... -
Somatostatin receptor type 1 Ki = 7030.0 nM 5.15 Radioligand Binding Assay: Receptor binding assays refer to a technique in which... -
Somatostatin receptor type 1 Ki = 7030.0 nM 5.15 Radioligand Binding Assays: Receptor binding assays refer to a technique in whic... -

Data from ChEMBL 36 via Core Engine