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Compound Detail

CHEMBL5179321

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Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL5179321
Phase Preclinical
Structure Type MOL
InChI Key IRRZWWOOMULOIA-UHFFFAOYSA-N
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
5.52
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27F3N6
MW 492.55
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.22

Activity Summary

Ki 3 meas. best 7.96
EC50 2 meas. best 7.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.97 7.97 10.7 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.97 7.97 10.7 1
Somatostatin receptor type 4
CHEMBL1853
Ki 7.96 7.96 11.0 2
Somatostatin receptor type 1
CHEMBL1917
Ki 5.65 5.65 2236.0 1

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
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