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Compound Detail

CHEMBL5190457

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Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5190457
Phase Preclinical
Structure Type MOL
InChI Key RDBYFPGWORQRTN-UHFFFAOYSA-N
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
5.20
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22BrFN6
MW 493.38
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.17

Activity Summary

Ki 6 meas. best 9.0
EC50 2 meas. best 9.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
 EC50 9.56 9.56 0.3 1
Somatostatin receptor type 4
CHEMBL1853
 EC50 9.52 9.52 0.3 1
Somatostatin receptor type 4
CHEMBL1853
 Ki 9.0 8.99 1.0 2
Somatostatin receptor type 1
CHEMBL1917
 Ki 6.58 6.58 263.5 1
Somatostatin receptor type 2
CHEMBL1804
 Ki 5.68 5.68 2080.0 2
Somatostatin receptor type 3
CHEMBL2028
 Ki 5.56 5.56 2733.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 3 EC50 = 0.276 nM 9.56 Activity Assays: Measurement of forskolin stimulated inhibition of cAMP was perf... -
Somatostatin receptor type 4 EC50 = 0.3 nM 9.52 Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells as... 34458738
Somatostatin receptor type 4 Ki = 1.0 nM 9.0 Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membran... 34458738
Somatostatin receptor type 4 Ki = 1.04 nM 8.98 Radioligand Binding Assay: Competitive radioligand binding experiments were perf... -
Somatostatin receptor type 1 Ki = 263.5 nM 6.58 Displacement of [125I]-Tyr-SRIF 14 from SST1 receptor (unknown origin) expressed... 34458738
Somatostatin receptor type 2 Ki = 2080.0 nM 5.68 Displacement of [125I]-Tyr-SRIF 14 from human SST2A receptor expressed in membra... 34458738
Somatostatin receptor type 2 Ki = 2080.0 nM 5.68 Radioligand Binding Assay: Competitive radioligand binding experiments were perf... -
Somatostatin receptor type 3 Ki = 2733.0 nM 5.56 Displacement of [125I]-Tyr-SRIF 14 from SST3 receptor (unknown origin) expressed... 34458738

Literature References

PubMed DOI Target Context # Activities
34458738 10.1039/D1MD00044F Somatostatin receptor type 4 2
34458738 10.1039/D1MD00044F Somatostatin receptor type 2 1
34458738 10.1039/D1MD00044F Somatostatin receptor type 1 1
34458738 10.1039/D1MD00044F Somatostatin receptor type 3 1
34458738 10.1039/D1MD00044F Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine