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Compound Detail

CHEMBL91569

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COc1ccc(OC(=O)P(=O)([O-])[O-])cc1.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91569
Phase Preclinical
Structure Type MOL
InChI Key RZJCVIRWTUPMPT-UHFFFAOYSA-L
Parent Compound CHEMBL1205380
Active Moiety CHEMBL1205380
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.1
MW (Da)
1.37
ALogP
4
HBA
2
HBD
93.1
PSA (Ų)
0.76
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 C8H7Na2O6P
MW 276.09
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.05

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