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Compound Detail

CHEMBL19747

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Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4ccccc43)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL19747
Phase Preclinical
Structure Type MOL
InChI Key UZNFEWAQORTTAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

500.0
MW (Da)
4.42
ALogP
7
HBA
0
HBD
72.6
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 C26H18ClN5O2S
MW 499.98
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2002463 10.1021/jm00107a048 Platelet-activating factor receptor 2
2002463 10.1021/jm00107a048 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine