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Compound Detail

CHEMBL359215

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S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL359215
Phase Preclinical
Structure Type MOL
InChI Key YZOMBPDHOVUNRI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

584.4
MW (Da)
6.15
ALogP
4
HBA
3
HBD
68.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29BrCl2N6S
MW 584.41
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.49

Activity Summary

Ki 2 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 6.88 6.88 132.0 1
Somatostatin receptor type 2
CHEMBL1804
Ki 6.11 6.11 777.0 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