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Compound Detail

CHEMBL5288602

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COc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1

Basic Information

ChEMBL ID CHEMBL5288602
Phase Preclinical
Structure Type MOL
InChI Key UYPLBIIEBVKZPV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
4.48
ALogP
7
HBA
2
HBD
108.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N5O2
MW 451.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.82

Activity Summary

EC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
EC50 7.3 7.3 50.0 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

Data from ChEMBL 36 via Core Engine