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Compound Detail

CHEMBL1766102

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Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1

Basic Information

ChEMBL ID CHEMBL1766102
Phase Preclinical
Structure Type MOL
InChI Key UDERHFYYVOINTD-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
5.67
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26ClN3O2
MW 459.98
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 9.42
Ki 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
Ki 10.1 10.1 0.1 1
Somatostatin receptor type 2
CHEMBL1804
IC50 9.42 9.42 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21395312 10.1021/jm101501b Somatostatin receptor type 2 2

Data from ChEMBL 36 via Core Engine