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Compound Detail

CHEMBL64445

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COC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL64445
Phase Preclinical
Structure Type MOL
InChI Key OSAORANEDDGJPR-PBVYKCSPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.19
ALogP
7
HBA
1
HBD
73.2
PSA (Ų)
0.51
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 C21H21N3O3S
MW 395.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.87

Activity Summary

Ki 1 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 8.34 8.34 4.6 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