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Compound Detail

CHEMBL5414767

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CCc1cccnc1N(C(=O)c1ccc(-c2cnn3cccnc23)cc1)[C@@H]1CCCNC1

Basic Information

ChEMBL ID CHEMBL5414767
Phase Preclinical
Structure Type MOL
InChI Key QXUVYPQBYUGXAY-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.75
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O
MW 426.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proprotein convertase subtilisin/kexin type 9
CHEMBL2929
IC50 5.48 5.48 3310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37379958 10.1016/j.bmcl.2023.129394 Bone marrow cell 2
37379958 10.1016/j.bmcl.2023.129394 Proprotein convertase subtilisin/kexin type 9 1
37379958 10.1016/j.bmcl.2023.129394 Unchecked 1

Data from ChEMBL 36 via Core Engine