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Compound Detail

CHEMBL5192791

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FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1

Basic Information

ChEMBL ID CHEMBL5192791
Phase Preclinical
Structure Type MOL
InChI Key FNTJYGUEEBOGIQ-UHFFFAOYSA-N
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

494.5
MW (Da)
5.39
ALogP
5
HBA
2
HBD
84.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25F3N6O
MW 494.52
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.97

Activity Summary

Ki 4 meas. best 7.83
EC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.83 7.83 14.9 2
Somatostatin receptor type 4
CHEMBL1853
EC50 7.26 7.26 55.0 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.26 7.26 55.0 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.39 5.39 4076.0 2

Activity Data Samples

Top measurements by pChEMBL value

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

Data from ChEMBL 36 via Core Engine