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Compound Detail

CHEMBL124378

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CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124378
Phase Preclinical
Structure Type MOL
InChI Key UDCLQTAISUBDFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
3.51
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24Cl2N2O4
MW 403.31
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL3508
 IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gastrin/cholecystokinin type B receptor IC50 = 2900.0 nM 5.54 Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B... 1732532

Literature References

PubMed DOI Target Context # Activities
1732532 10.1021/jm00079a003 Cholecystokinin receptor type A 1
1732532 10.1021/jm00079a003 Gastrin/cholecystokinin type B receptor 1
1732532 10.1021/jm00079a003 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine