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Compound Detail

CHEMBL119412

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Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3N=C(S)C2)cc1

Basic Information

ChEMBL ID CHEMBL119412
Phase Preclinical
Structure Type MOL
InChI Key XGGMIFIFZUUOFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
6.52
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15Cl2N5S
MW 452.37
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 9.3 9.3 0.5 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