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Compound Detail

CHEMBL277618

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Cc1nnc2n1-c1ccc(C#CCN3C(=O)CSc4ccccc43)cc1C(c1ccccc1F)=NC2

Basic Information

ChEMBL ID CHEMBL277618
Phase Preclinical
Structure Type MOL
InChI Key YQUPCKGOKQKWMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
4.56
ALogP
6
HBA
0
HBD
63.4
PSA (Ų)
0.38
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 C28H20FN5OS
MW 493.57
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 8.15 8.15 7.0 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
2002463 10.1021/jm00107a048 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine