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Compound Detail

CHEMBL91958

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CCOP(=O)([O-])C(=O)Oc1ccc(Cl)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91958
Phase Preclinical
Structure Type MOL
InChI Key PAFHCYBEQVIYJW-UHFFFAOYSA-M
Parent Compound CHEMBL1205384
Active Moiety CHEMBL1205384
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.6
MW (Da)
3.06
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9ClNaO5P
MW 286.58
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.45

Activity Summary

IC50 1 meas.

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