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Compound Detail

CHEMBL143100

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C/S(=N/CCCc1c[nH]cn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1

Basic Information

ChEMBL ID CHEMBL143100
Phase Preclinical
Structure Type MOL
InChI Key LIDKVULPNJVWON-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
4.53
ALogP
4
HBA
2
HBD
69.2
PSA (Ų)
0.37
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 C22H29BrN6S
MW 489.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.88

Activity Summary

Ki 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.3 7.3 50.0 1
Somatostatin receptor type 2
CHEMBL1804
Ki 5.34 5.34 4600.0 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