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Compound Detail

CHEMBL142492

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S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccccn1)NCCCn1ccnc1

Basic Information

ChEMBL ID CHEMBL142492
Phase Preclinical
Structure Type MOL
InChI Key LKDFKUICAVMRIZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.5
MW (Da)
4.93
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28Cl2N6S
MW 491.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.92

Activity Summary

Ki 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 5.4 5.4 4000.0 1
Somatostatin receptor type 2
CHEMBL1804
Ki 5.1 5.1 8000.0 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