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Compound Detail

CHEMBL5286005

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COc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1

Basic Information

ChEMBL ID CHEMBL5286005
Phase Preclinical
Structure Type MOL
InChI Key HKYPZLWCPQWHRL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
5.22
ALogP
6
HBA
2
HBD
95.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25FN4O2
MW 468.53
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.81

Activity Summary

EC50 2 meas. best 9.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
EC50 9.92 9.91 0.1 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