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Compound Detail

CHEMBL5173784

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Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1

Basic Information

ChEMBL ID CHEMBL5173784
Phase Preclinical
Structure Type MOL
InChI Key QBRCKLGRKPLKLF-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
5.74
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21Cl2FN6
MW 483.38
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.18

Activity Summary

Ki 2 meas. best 8.77
EC50 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 8.77 8.77 1.7 1
Somatostatin receptor type 4
CHEMBL1853
EC50 8.66 8.66 2.2 1
Somatostatin receptor type 2
CHEMBL1804
Ki 5.31 5.31 4862.0 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