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Compound Detail

CHEMBL279021

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Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=NC2O

Basic Information

ChEMBL ID CHEMBL279021
Phase Preclinical
Structure Type MOL
InChI Key SXCZMULKFKAKIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.5
MW (Da)
3.89
ALogP
6
HBA
1
HBD
83.6
PSA (Ų)
0.43
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 C29H22FN5O2
MW 491.53
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2002463 10.1021/jm00107a048 Platelet-activating factor receptor 4

Data from ChEMBL 36 via Core Engine