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Compound Detail

CHEMBL326517

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Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)NCCN2)cc1

Basic Information

ChEMBL ID CHEMBL326517
Phase Preclinical
Structure Type MOL
InChI Key ZXFNOOGPCPAYDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
1.79
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O
MW 319.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658438 10.1021/jm00018a011 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine