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Compound Detail

CHEMBL5175637

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Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175637
Phase Preclinical
Structure Type MOL
InChI Key VGAIZXCXOWVPIB-UHFFFAOYSA-N
5
Targets
11
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
5.06
ALogP
4
HBA
3
HBD
91.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F2N7
MW 471.52
Aromatic Rings 6
Heavy Atoms 35
NP-Likeness -0.83

Activity Summary

Ki 9 meas. best 9.15
EC50 2 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 9.15 9.15 0.7 1
Somatostatin receptor type 4
CHEMBL1853
 Ki 9.15 9.15 0.7 2
Somatostatin receptor type 3
CHEMBL2028
 EC50 9.14 9.14 0.7 1
Somatostatin receptor type 1
CHEMBL1917
 Ki 7.01 7.01 97.8 2
Somatostatin receptor type 2
CHEMBL1804
 Ki 6.19 6.19 639.7 2
Somatostatin receptor type 3
CHEMBL2028
 Ki 5.76 5.76 1736.0 2
Somatostatin receptor type 5
CHEMBL1792
 Ki 5.03 5.03 9335.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 0.7 nM 9.15 Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells as... 34458738
Somatostatin receptor type 4 Ki = 0.7 nM 9.15 Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membran... 34458738
Somatostatin receptor type 4 Ki = 0.707 nM 9.15 Radioligand Binding Assay: Competitive radioligand binding experiments were perf... -
Somatostatin receptor type 3 EC50 = 0.725 nM 9.14 Activity Assays: Measurement of forskolin stimulated inhibition of cAMP was perf... -
Somatostatin receptor type 1 Ki = 97.8 nM 7.01 Displacement of [125I]-Tyr-SRIF 14 from SST1 receptor (unknown origin) expressed... 34458738
Somatostatin receptor type 1 Ki = 97.8 nM 7.01 Radioligand Binding Assay: Competitive radioligand binding experiments were perf... -
Somatostatin receptor type 2 Ki = 639.7 nM 6.19 Displacement of [125I]-Tyr-SRIF 14 from human SST2A receptor expressed in membra... 34458738
Somatostatin receptor type 2 Ki = 640.0 nM 6.19 Radioligand Binding Assay: Competitive radioligand binding experiments were perf... -
Somatostatin receptor type 3 Ki = 1736.0 nM 5.76 Displacement of [125I]-Tyr-SRIF 14 from SST3 receptor (unknown origin) expressed... 34458738
Somatostatin receptor type 3 Ki = 1736.0 nM 5.76 Radioligand Binding Assay: Competitive radioligand binding experiments were perf... -
Somatostatin receptor type 5 Ki = 9335.0 nM 5.03 Displacement of [125I]-Tyr-SRIF 14 from SST5 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
34458738 10.1039/D1MD00044F Unchecked 1

Data from ChEMBL 36 via Core Engine