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Compound Detail

CHEMBL156461

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O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL156461
Phase Preclinical
Structure Type MOL
InChI Key FHKSAMKFFJMXMV-BGERDNNASA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
2.56
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.81
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 C22H28N4OS
MW 396.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.98

Activity Summary

IC50 3 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 8.64 8.64 2.3 1
Unchecked
CHEMBL612545
IC50 7.15 7.055 71.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36096342 10.1016/j.bmcl.2022.128983 Unchecked 2
- 10.1016/S0960-894X(01)81205-1 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine