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Compound Detail

CHEMBL142811

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S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL142811
Phase Preclinical
Structure Type MOL
InChI Key QDWDLCUCJILOGI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

511.5
MW (Da)
5.73
ALogP
3
HBA
2
HBD
40.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31BrN4S
MW 511.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.28

Activity Summary

Ki 1 meas. best 4.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 4.15 4.15 71000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9822540 10.1021/jm980118e Somatostatin receptor type 2 1
9822540 10.1021/jm980118e Somatostatin receptor type 4 1

Data from ChEMBL 36 via Core Engine