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Compound Detail

CHEMBL73483

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CN1C(=O)C(NC(=O)c2ccc(I)cc2)N=C(c2ccccc2F)c2ccccc21

Basic Information

ChEMBL ID CHEMBL73483
Phase Preclinical
Structure Type MOL
InChI Key KWYHFHAIKHYSHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.3
MW (Da)
4.00
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.54
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 C23H17FIN3O2
MW 513.31
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL2871
IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholecystokinin receptor type A IC50 = 0.7943 nM 9.1 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