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Compound Detail

CHEMBL24938

LORGLUMIDE
🧪 Phase II
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🧪 Phase II
CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24938
Name LORGLUMIDE
Phase Phase II
Structure Type MOL
InChI Key IEKOTSCYBBDIJC-UHFFFAOYSA-N

Known Names

CR-1409 Lorglumida Lorglumide
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
3
Known Names

Molecular Properties

459.4
MW (Da)
5.17
ALogP
3
HBA
2
HBD
86.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -glumide

Extended Properties

Molecular Formula C22H32Cl2N2O4
MW 459.41
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.69

Activity Summary

IC50 7 meas. best 7.75
Ki 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL2871
 IC50 7.75 7.57 18.0 3
Cholecystokinin receptor type A
CHEMBL2871
 Ki 6.89 6.89 129.0 1
Gastrin/cholecystokinin type B receptor
CHEMBL298
 IC50 5.72 5.16 1900.0 2
Cholecystokinin receptor type A
CHEMBL3501
 IC50 5.66 5.66 2200.0 1
Gastrin/cholecystokinin type B receptor
CHEMBL3508
 IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholecystokinin receptor type A IC50 = 18.0 nM 7.75 Inhibition of binding of [125I]- CCK-33 to rat pancreas 2299627
Cholecystokinin receptor type A IC50 = 22.0 nM 7.66 Displacement of [125I]CCK-OP radioligand from Cholecystokinin type A receptor in... -
Cholecystokinin receptor type A IC50 = 50.0 nM 7.3 Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to... 1732532
Cholecystokinin receptor type A Ki = 129.0 nM 6.89 Binding affinity against Cholecystokinin type A receptor using [125I](BH)-CCK-8 ... 8632410
Gastrin/cholecystokinin type B receptor IC50 = 1900.0 nM 5.72 Inhibition of binding of [125I]gastrin to Cholecystokinin type B receptor from g... 2299627
Cholecystokinin receptor type A IC50 = 2200.0 nM 5.66 Inhibition of binding of [125I]- CCK-33 to guinea pig cortex 2299627
Gastrin/cholecystokinin type B receptor IC50 = 3000.0 nM 5.52 Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B... 1732532
Gastrin/cholecystokinin type B receptor IC50 = 25000.0 nM 4.6 Concentration required to inhibit by 50% the specific binding of [3H]pentagastri... 1732532

Literature References

PubMed DOI Target Context # Activities
1732532 10.1021/jm00079a003 Gastrin/cholecystokinin type B receptor 3
1732532 10.1021/jm00079a003 Cholecystokinin receptor type A 2
2299627 10.1021/jm00164a020 Cholecystokinin receptor type A 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.1016/S0960-894X(00)80224-3 Cholecystokinin receptor type A 1
- 10.1016/S0960-894X(00)80224-3 Gastrin/cholecystokinin type B receptor 1
8632410 10.1021/jm950423p Cholecystokinin receptor type A 1
2299627 10.1021/jm00164a020 Gastrin/cholecystokinin type B receptor 1
23122865 10.1016/j.bmcl.2012.10.010 Indoleamine 2,3-dioxygenase 2 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine