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Compound Detail

CHEMBL283946

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O=C1Nc2ccccc2C(c2ccccc2)=NC1Cc1c[nH]c2ccc(Br)cc12

Basic Information

ChEMBL ID CHEMBL283946
Phase Preclinical
Structure Type MOL
InChI Key FCIKGGIPOUYDRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.3
MW (Da)
5.33
ALogP
2
HBA
2
HBD
57.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18BrN3O
MW 444.33
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor
CHEMBL2096986
IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholecystokinin receptor IC50 = 2900.0 nM 5.54 Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin... 2885419

Literature References

PubMed DOI Target Context # Activities
2885419 10.1021/jm00390a019 Cholecystokinin receptor 1
2885419 10.1021/jm00390a019 Cholecystokinin receptor type A 1
2885419 10.1021/jm00390a019 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine