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Compound Detail

CHEMBL491497

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CN(CCC(=O)N1CCN(c2ccc3nccn3n2)CC1)CCC1c2ccccc2-c2ccccc21.Cl

Basic Information

ChEMBL ID CHEMBL491497
Phase Preclinical
Structure Type MOL
InChI Key SILBVVDUPIGITP-UHFFFAOYSA-N
Parent Compound CHEMBL1187144
Active Moiety CHEMBL1187144
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
3.90
ALogP
6
HBA
0
HBD
57.0
PSA (Ų)
0.40
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 C29H33ClN6O
MW 517.08
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.53

Activity Summary

Kd 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 1
CHEMBL4652
Kd 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 1 Kd = 1.096 nM 8.96 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