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Compound Detail

CHEMBL119366

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Cc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(N)=N2

Basic Information

ChEMBL ID CHEMBL119366
Phase Preclinical
Structure Type MOL
InChI Key DHBAGEFUGIDMEJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.86
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.53
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 C24H22N6
MW 394.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.72 8.72 1.9 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