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Compound Detail

CHEMBL491507

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CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CCC1c2ccccc2-c2ccccc21.Cl

Basic Information

ChEMBL ID CHEMBL491507
Phase Preclinical
Structure Type MOL
InChI Key ZGDQNKAQIJBCTN-UHFFFAOYSA-N
Parent Compound CHEMBL1187146
Active Moiety CHEMBL1187146
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
5.00
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.50
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 C29H33ClFN3O
MW 494.05
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.20

Activity Summary

Kd 1 meas. best 8.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 1
CHEMBL4652
Kd 8.71 8.71 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 1 Kd = 1.95 nM 8.71 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