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Compound Detail

CHEMBL5203972

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COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL5203972
Phase Preclinical
Structure Type MOL
InChI Key LBHHYXZZVWUQOJ-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
4.50
ALogP
5
HBA
2
HBD
84.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N6O
MW 440.55
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.82

Activity Summary

EC50 2 meas. best 7.54
Ki 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.54 7.54 28.9 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.54 7.54 28.9 1
Somatostatin receptor type 4
CHEMBL1853
Ki 7.4 7.4 39.5 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
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