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Compound Detail

CHEMBL142295

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S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1ccccn1

Basic Information

ChEMBL ID CHEMBL142295
Phase Preclinical
Structure Type MOL
InChI Key LEPLUZQACJKCSY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

553.4
MW (Da)
5.65
ALogP
4
HBA
2
HBD
53.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24BrCl2N5S
MW 553.36
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.05

Activity Summary

Ki 2 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 5.77 5.77 1700.0 1
Somatostatin receptor type 2
CHEMBL1804
Ki 4.13 4.13 74000.0 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