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Compound Detail

CHEMBL5288474

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O=C([C@@H]1COC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5288474
Phase Preclinical
Structure Type MOL
InChI Key BHDYQRUCFMCWFS-BGERDNNASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
1.85
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O2
MW 380.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 60000.0 nM 4.22 Inhibition of PAF-induced rabbit blood platelet aggregation preincubated for 2 m... 36096342

Literature References

PubMed DOI Target Context # Activities
36096342 10.1016/j.bmcl.2022.128983 Unchecked 1

Data from ChEMBL 36 via Core Engine