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Compound Detail

CHEMBL142293

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S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142293
Phase Preclinical
Structure Type MOL
InChI Key LOZIGROCVQDSGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

593.4
MW (Da)
7.13
ALogP
4
HBA
2
HBD
43.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28BrCl2N5S
MW 593.42
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.15

Activity Summary

Ki 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 Ki 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 Ki = 15000.0 nM 4.82 In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells us... 9822540

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