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Compound Detail

CHEMBL92372

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COC(=O)P(=O)([O-])Oc1ccc2c(c1)CCC2.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92372
Phase Preclinical
Structure Type MOL
InChI Key KAKBGFTYVWRWFB-UHFFFAOYSA-M
Parent Compound CHEMBL1205388
Active Moiety CHEMBL1205388
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
2.51
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12NaO5P
MW 278.18
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
6298425 10.1021/jm00356a028 DNA polymerase catalytic subunit 1
6298425 10.1021/jm00356a028 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine