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Compound Detail

CHEMBL207165

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CCCCCCCCCCCCCCCCC1=C[C@H](C(=O)OC)[C@H]2C(=O)[C@]3(C(=O)OC)C[C@]3(CCCCCCCCCCCCCCCC)[C@H]2[C@H]1C(=O)OC

Basic Information

ChEMBL ID CHEMBL207165
Phase Preclinical
Structure Type MOL
InChI Key DPPVGIILKURADF-GTCLKWQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

771.2
MW (Da)
12.61
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.02
QED
2
Ro5 Violations
33
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H82O7
MW 771.18
Aromatic Rings 0
Heavy Atoms 55
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
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
16563761 10.1016/j.bmcl.2006.03.005 DNA nucleotidylexotransferase 1

Data from ChEMBL 36 via Core Engine