Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL227212

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227212
Phase Preclinical
Structure Type MOL
InChI Key FGKNVWQWKFERAE-DGPALRBDSA-N
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

551.7
MW (Da)
3.59
ALogP
4
HBA
4
HBD
120.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H37N5O3
MW 551.69
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.41

Activity Summary

IC50 8 meas. best 8.92
EC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 5
CHEMBL1792
 IC50 8.92 8.92 1.2 3
Somatostatin receptor type 4
CHEMBL1853
 IC50 8.48 8.48 3.3 2
Somatostatin receptor type 5
CHEMBL1792
 EC50 7.89 7.89 13.0 1
Somatostatin receptor type 2
CHEMBL1804
 IC50 7.08 7.08 83.0 1
Somatostatin receptor type 1
CHEMBL1917
 IC50 6.63 6.63 233.0 1
Somatostatin receptor type 3
CHEMBL2028
 IC50 6.6 6.6 251.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 5 IC50 = 1.2 nM 8.92 Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST5 receptor 17559206
Somatostatin receptor type 5 IC50 = 1.2 nM 8.92 Agonist activity at human SST5 receptor expressed in CHOK1 cells assessed as eff... 17559206
Somatostatin receptor type 5 IC50 = 1.2 nM 8.92 Inhibition of human SSTR5 by radioligand binding assay 30503939
Somatostatin receptor type 4 IC50 = 3.3 nM 8.48 Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST4 receptor 17559206
Somatostatin receptor type 4 IC50 = 3.3 nM 8.48 Inhibition of human SSTR4 by radioligand binding assay 30503939
Somatostatin receptor type 5 EC50 = 13.0 nM 7.89 Agonist activity at human SST5 receptor expressed in CHOK1 cells assessed as eff... 17559206
Somatostatin receptor type 2 IC50 = 83.0 nM 7.08 Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST2 receptor 17559206
Somatostatin receptor type 1 IC50 = 233.0 nM 6.63 Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST1 receptor 17559206
Somatostatin receptor type 3 IC50 = 251.0 nM 6.6 Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST3 receptor 17559206

Literature References

PubMed DOI Target Context # Activities
17559206 10.1021/jm070246f Somatostatin receptor type 5 3
17559206 10.1021/jm070246f Somatostatin receptor type 1 1
17559206 10.1021/jm070246f Somatostatin receptor type 2 1
17559206 10.1021/jm070246f Somatostatin receptor type 3 1
17559206 10.1021/jm070246f Somatostatin receptor type 4 1
30503939 10.1016/j.ejmech.2018.11.030 Somatostatin receptor type 5 1
30503939 10.1016/j.ejmech.2018.11.030 Somatostatin receptor type 4 1

Data from ChEMBL 36 via Core Engine