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Compound Detail

CHEMBL5286879

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Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1

Basic Information

ChEMBL ID CHEMBL5286879
Phase Preclinical
Structure Type MOL
InChI Key UJWVFOZDAGJLCH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
5.52
ALogP
5
HBA
2
HBD
86.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25FN4O
MW 452.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.89

Activity Summary

EC50 2 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
EC50 9.8 9.785 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36655128 10.1021/acsmedchemlett.2c00431 Unchecked 4
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 2 2
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 1 1
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 3 1
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 4 1
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine