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Compound Detail

CHEMBL32303

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Cc1nnc2n1-c1sc(-c3cc(O)[nH]n3)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL32303
Phase Preclinical
Structure Type MOL
InChI Key ZVAGYNZXFGWJDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.9
MW (Da)
3.74
ALogP
7
HBA
2
HBD
92.0
PSA (Ų)
0.54
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 C18H13ClN6OS
MW 396.86
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2016721 10.1021/jm00108a031 Platelet-activating factor receptor 1
2016721 10.1021/jm00108a031 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine