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

CHEMBL156559

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
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156559
Phase Preclinical
Structure Type BOTH
InChI Key KONMZUWCOVKBMG-ZYADHFCISA-N
4
Targets
15
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

841.0
MW (Da)
3.90
ALogP
8
HBA
8
HBD
254.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H56N8O9
MW 840.98
Aromatic Rings 4
Heavy Atoms 61
NP-Likeness -0.49

Activity Summary

IC50 11 meas. best 8.52
EC50 4 meas. best 9.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
 EC50 9.41 9.175 0.4 4
Cholecystokinin receptor type A
CHEMBL3501
 IC50 8.52 8.436 3.0 5
Cholecystokinin receptor
CHEMBL2095185
 IC50 8.43 6.9 3.7 2
Gastrin/cholecystokinin type B receptor
CHEMBL298
 IC50 5.35 5.345 4500.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus EC50 = 0.39 nM 9.41 The compound was tested for effective concentration for amylase release in guine... 1716682
Cavia porcellus EC50 = 0.39 nM 9.41 Concentration of the peptide that produced 50% of maximal response using amylase... 1700123
Cavia porcellus EC50 = 0.39 nM 9.41 Stimulation of amylase release in guinea pig pancreas 1375964
Cholecystokinin receptor type A IC50 = 3.0 nM 8.52 Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A recept... 8295219
Cavia porcellus EC50 = 3.4 nM 8.47 Effective concentration for hydrolysis of phosphoinositide in guinea pig pancrea... 1716682
Cholecystokinin receptor type A IC50 = 3.7 nM 8.43 Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pi... 1700123
Cholecystokinin receptor IC50 = 3.7 nM 8.43 In vitro inhibition of [125I]CCK-8 binding to guinea pig pancreas 8201591
Cholecystokinin receptor type A IC50 = 3.7 nM 8.43 In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin... 8126703
Cholecystokinin receptor type A IC50 = 3.7 nM 8.43 Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas. 1375964
Cholecystokinin receptor type A IC50 = 4.3 nM 8.37 In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin... 8126703
Cholecystokinin receptor IC50 = 4300.0 nM 5.37 In vitro binding for inhibition of [125I]- Bolton-Hunter-CCK-8 binding in guinea... 8201591
Gastrin/cholecystokinin type B receptor IC50 = 4500.0 nM 5.35 Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pi... 1700123
Gastrin/cholecystokinin type B receptor IC50 = 4500.0 nM 5.35 In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin... 8126703
Gastrin/cholecystokinin type B receptor IC50 = 4500.0 nM 5.35 Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex 1375964
Gastrin/cholecystokinin type B receptor IC50 = 4700.0 nM 5.33 Concentration required to inhibit 50% of specific binding to Cholecystokinin typ... 8295219

Literature References

PubMed DOI Target Context # Activities
8126703 10.1021/jm00031a013 Cholecystokinin receptor type A 4
8295219 10.1021/jm00028a015 Cholecystokinin receptor 3
1716682 10.1021/jm00113a023 Cavia porcellus 3
1375964 10.1021/jm00089a010 Cavia porcellus 2
8126703 10.1021/jm00031a013 Rattus norvegicus 2
8126703 10.1021/jm00031a013 Cholecystokinin receptor 2
8201591 10.1021/jm00037a006 Cholecystokinin receptor 2
8126703 10.1021/jm00031a013 Gastrin/cholecystokinin type B receptor 2
8201591 10.1021/jm00037a006 Cholecystokinin receptor type A 1
1375964 10.1021/jm00089a010 Gastrin/cholecystokinin type B receptor 1
1375964 10.1021/jm00089a010 Cholecystokinin receptor type A 1
8201591 10.1021/jm00037a006 Rattus norvegicus 1
1700123 10.1021/jm00173a006 Cavia porcellus 1
1700123 10.1021/jm00173a006 Gastrin/cholecystokinin type B receptor 1
1700123 10.1021/jm00173a006 Cholecystokinin receptor type A 1
8295219 10.1021/jm00028a015 Gastrin/cholecystokinin type B receptor 1
8295219 10.1021/jm00028a015 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine