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Compound Detail

CHEMBL143245

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S=C(NCCCNc1ccccn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1

Basic Information

ChEMBL ID CHEMBL143245
Phase Preclinical
Structure Type MOL
InChI Key LSBNBXGDMFDJPP-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

582.4
MW (Da)
5.91
ALogP
5
HBA
3
HBD
65.1
PSA (Ų)
0.18
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 C24H27BrCl2N6S
MW 582.40
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.86

Activity Summary

EC50 1 meas. best 6.81
Ki 1 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
EC50 6.81 6.81 154.0 1
Somatostatin receptor type 4
CHEMBL1853
Ki 6.73 6.73 185.0 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
9822540 10.1021/jm980118e ADMET 1

Data from ChEMBL 36 via Core Engine