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Compound Detail

CHEMBL210842

PLAKEVULIN A
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CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H]1C(=O)OC

Basic Information

ChEMBL ID CHEMBL210842
Name PLAKEVULIN A
Phase Preclinical
Structure Type MOL
InChI Key SOLXJOFQECGRPS-FUDKSRODSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

382.6
MW (Da)
5.31
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H42O4
MW 382.59
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.08

Activity Summary

IC50 8 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
IC50 5.7 5.64 2020.0 2
HeLa
CHEMBL399
IC50 4.94 4.94 11500.0 1
MC3T3-E1
CHEMBL4296463
IC50 4.91 4.91 12380.0 1
DNA polymerase alpha catalytic subunit
CHEMBL1828
IC50 4.18 4.18 66000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38996938 10.1016/j.bmcl.2024.129886 HL-60 5
38996938 10.1016/j.bmcl.2024.129886 Unchecked 2
16563761 10.1016/j.bmcl.2006.03.005 DNA polymerase alpha catalytic subunit 1
16563761 10.1016/j.bmcl.2006.03.005 DNA polymerase beta 1
38996938 10.1016/j.bmcl.2024.129886 HeLa 1
38996938 10.1016/j.bmcl.2024.129886 MC3T3-E1 1
38996938 10.1016/j.bmcl.2024.129886 MRC5 1
38996938 10.1016/j.bmcl.2024.129886 DNA polymerase beta 1

Data from ChEMBL 36 via Core Engine