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Compound Detail

CHEMBL118247

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COCCOCc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C

Basic Information

ChEMBL ID CHEMBL118247
Phase Preclinical
Structure Type MOL
InChI Key SRHUALNNXPROQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
3.11
ALogP
9
HBA
0
HBD
99.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N7O3
MW 473.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.21 8.21 6.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658439 10.1021/jm00018a012 Platelet-activating factor receptor 1
7658439 10.1021/jm00018a012 Mus musculus 1

Data from ChEMBL 36 via Core Engine