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Compound Detail

CHEMBL5182561

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Cc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CC(CN)C2)c1

Basic Information

ChEMBL ID CHEMBL5182561
Phase Preclinical
Structure Type MOL
InChI Key FDEWFNWYUUICDJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
4.27
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F2N5
MW 405.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.09

Activity Summary

EC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 5
CHEMBL1792
EC50 8.3 8.275 5.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35605837 10.1016/j.bmcl.2022.128807 Somatostatin receptor type 5 2
35605837 10.1016/j.bmcl.2022.128807 Somatostatin receptor type 2 1

Data from ChEMBL 36 via Core Engine