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Compound Detail

CHEMBL5209180

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COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL5209180
Phase Preclinical
Structure Type MOL
InChI Key UQXGWXMNHVMSTO-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
4.44
ALogP
5
HBA
2
HBD
84.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FN6O
MW 444.51
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.01

Activity Summary

Ki 2 meas. best 9.05
EC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.7 9.7 0.2 1
Somatostatin receptor type 4
CHEMBL1853
Ki 9.05 9.05 0.9 1
Somatostatin receptor type 2
CHEMBL1804
Ki 5.29 5.29 5115.0 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

Data from ChEMBL 36 via Core Engine