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Compound Detail

CHEMBL428666

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CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428666
Phase Preclinical
Structure Type BOTH
InChI Key HJSQTFAEDKLUPO-PDDZESAZSA-M
Parent Compound CHEMBL384035
Active Moiety CHEMBL384035

Known Names

BC-264
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
1
Known Names

Molecular Properties

1092.2
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H68N9NaO15S
MW 1114.22

Activity Summary

Ki 6 meas. best 9.82
EC50 2 meas. best 9.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL298
 Ki 9.82 9.82 0.1 1
Cholecystokinin receptor type A
CHEMBL3501
 Ki 9.64 8.8225 0.2 4
Cavia porcellus
CHEMBL369
 EC50 9.55 9.475 0.3 2
Gastrin/cholecystokinin type B receptor
CHEMBL3508
 Ki 7.02 7.02 96.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gastrin/cholecystokinin type B receptor Ki = 0.15 nM 9.82 Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B recept... -
Cholecystokinin receptor type A Ki = 0.23 nM 9.64 The compound was tested for the inhibition of [3H]propionyl specific binding to ... 2464062
Cavia porcellus EC50 = 0.28 nM 9.55 The compound was tested for the agonistic activity of amylase secretion by Guine... 2464062
Cholecystokinin receptor type A Ki = 0.31 nM 9.51 Ability to displace 1 nM [3H]pCCK-8 from Cholecystokinin type A receptor in guin... 14698161
Cavia porcellus EC50 = 0.4 nM 9.4 The compound was tested for the agonistic activity of contractile activities of ... 2464062
Cholecystokinin receptor type A Ki = 0.93 nM 9.03 The compound was tested for the inhibition of [3H]propionyl specific binding to ... 2464062
Cholecystokinin receptor type A Ki = 78.0 nM 7.11 Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type A recept... -
Gastrin/cholecystokinin type B receptor Ki = 96.0 nM 7.02 Ability to displace 1 nM [3H]pCCK-8 from rat Cholecystokinin type B receptor sta... 14698161

Literature References

PubMed DOI Target Context # Activities
2464062 10.1021/jm00122a026 Cholecystokinin receptor type A 2
2464062 10.1021/jm00122a026 Cavia porcellus 2
14698161 10.1016/j.bmcl.2003.11.001 Cholecystokinin receptor type A 1
14698161 10.1016/j.bmcl.2003.11.001 Gastrin/cholecystokinin type B receptor 1
- 10.1016/S0960-894X(00)80678-2 Gastrin/cholecystokinin type B receptor 1
- 10.1016/S0960-894X(00)80678-2 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine