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Compound Detail

CHEMBL62497

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O=C(c1c[nH]c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62497
Phase Preclinical
Structure Type MOL
InChI Key PQKFTEXJAARLFZ-OWJIYDKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.73
ALogP
5
HBA
2
HBD
67.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O2S
MW 415.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.49

Activity Summary

Ki 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 1.6 nM 8.8 Antagonist activity against platelet activating factor (PAF) receptor in rabbit ... 8027984

Literature References

PubMed DOI Target Context # Activities
8027984 10.1021/jm00039a015 Platelet-activating factor receptor 2
8027984 10.1021/jm00039a015 Mus musculus 1
8027984 10.1021/jm00039a015 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine