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Compound Detail

CHEMBL5201594

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c1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL5201594
Phase Preclinical
Structure Type MOL
InChI Key JQBUYKQPPGSFJT-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.49
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6
MW 410.53
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.80

Activity Summary

EC50 2 meas. best 7.78
Ki 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.92 7.92 11.9 2
Somatostatin receptor type 4
CHEMBL1853
EC50 7.78 7.78 16.5 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.78 7.78 16.5 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