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Compound Detail

CHEMBL5271468

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Cc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1

Basic Information

ChEMBL ID CHEMBL5271468
Phase Preclinical
Structure Type MOL
InChI Key NUUWLGXOHGOZLE-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.08
ALogP
5
HBA
4
HBD
100.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O2
MW 390.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.63

Activity Summary

EC50 4 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 6.5 6.5 316.2 2
Somatostatin receptor type 2
CHEMBL1804
EC50 6.1 6.09 794.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 2 2
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 4 2

Data from ChEMBL 36 via Core Engine