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Compound Detail

CHEMBL5286126

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NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4)cc23)CC1

Basic Information

ChEMBL ID CHEMBL5286126
Phase Preclinical
Structure Type MOL
InChI Key NIMMXUAPTUQCNC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
5.77
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F2N3
MW 415.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.83

Activity Summary

EC50 2 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
EC50 8.04 8.02 9.2 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