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Compound Detail

CHEMBL491508

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CN(CCC(=O)N1CCN(c2ccccc2C#N)CC1)CCC1c2ccccc2-c2ccccc21.Cl

Basic Information

ChEMBL ID CHEMBL491508
Phase Preclinical
Structure Type MOL
InChI Key LGFUASMNACVYKA-UHFFFAOYSA-N
Parent Compound CHEMBL1187147
Active Moiety CHEMBL1187147
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.73
ALogP
4
HBA
0
HBD
50.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33ClN4O
MW 501.07
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.12

Activity Summary

Kd 1 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 1
CHEMBL4652
Kd 8.34 8.34 4.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 1 Kd = 4.571 nM 8.34 Binding affinity to rat sst1 receptor 19208473

Literature References

PubMed DOI Target Context # Activities
19208473 10.1016/j.bmcl.2009.01.072 Somatostatin receptor type 1 1

Data from ChEMBL 36 via Core Engine