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Compound Detail

CHEMBL62219

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Cc1cccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c12

Basic Information

ChEMBL ID CHEMBL62219
Phase Preclinical
Structure Type MOL
InChI Key REWXXQFTSVIVGK-BUSXIPJBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.46
ALogP
4
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3OS
MW 323.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 8.19 8.19 6.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8027984 10.1021/jm00039a015 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine