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Compound Detail

CHEMBL5279978

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Cc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1

Basic Information

ChEMBL ID CHEMBL5279978
Phase Preclinical
Structure Type MOL
InChI Key DLQDTOXPYMCBJT-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.58
ALogP
4
HBA
3
HBD
88.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O2
MW 411.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.18

Activity Summary

EC50 4 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.3 8.28 5.0 2
Somatostatin receptor type 2
CHEMBL1804
EC50 7.2 7.2 63.0 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