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Compound Detail

CHEMBL5174969

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Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1

Basic Information

ChEMBL ID CHEMBL5174969
Phase Preclinical
Structure Type MOL
InChI Key RQGQSCHSKCCJEJ-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.9
MW (Da)
5.09
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClFN6
MW 448.93
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.28

Activity Summary

Ki 2 meas. best 9.3
EC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 9.3 9.3 0.5 1
Somatostatin receptor type 4
CHEMBL1853
EC50 9.1 9.1 0.8 1
Somatostatin receptor type 2
CHEMBL1804
Ki 5.76 5.76 1734.0 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