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Compound Detail

CHEMBL89434

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O=C([O-])P(=O)([O-])OC12CC3CC(CC(C3)C1)C2.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89434
Phase Preclinical
Structure Type MOL
InChI Key NDSVGVOXZIOJQC-UHFFFAOYSA-L
Parent Compound CHEMBL1205361
Active Moiety CHEMBL1205361
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
2.84
ALogP
3
HBA
2
HBD
83.8
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 C11H15Na2O5P
MW 304.19
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.41

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