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Compound Detail

CHEMBL9492

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N#Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL9492
Phase Preclinical
Structure Type MOL
InChI Key HFBMZGINBOQMIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.41
ALogP
6
HBA
3
HBD
111.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N6O2
MW 396.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL2854
 IC50 6.58 6.58 262.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gastrin/cholecystokinin type B receptor IC50 = 262.0 nM 6.58 Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mou... 9544204

Literature References

PubMed DOI Target Context # Activities
9544204 10.1021/jm970373j Gastrin/cholecystokinin type B receptor 1
9544204 10.1021/jm970373j Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine