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Compound Detail

CHEMBL5188841

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Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL5188841
Phase Preclinical
Structure Type MOL
InChI Key LMHKCNROBSSABU-UHFFFAOYSA-N
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.44
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23FN6
MW 414.49
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.02

Activity Summary

Ki 3 meas. best 8.77
EC50 2 meas. best 8.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 8.77 8.765 1.7 2
Somatostatin receptor type 3
CHEMBL2028
EC50 8.75 8.75 1.8 1
Somatostatin receptor type 4
CHEMBL1853
EC50 8.74 8.74 1.8 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.94 5.94 1156.0 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
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