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Compound Detail

CHEMBL73699

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CN1C(=O)C(NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL73699
Phase Preclinical
Structure Type MOL
InChI Key AXZHYJFBBATDMR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
4.28
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18F3N3O2
MW 437.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL2871
 IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholecystokinin receptor type A IC50 = 1.288 nM 8.89 Binding affinity against cholecystokinin type A receptor of rat pancreas 7932591

Literature References

PubMed DOI Target Context # Activities
7932591 10.1021/jm00047a021 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine