Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL91401

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOP(=O)([O-])C(=O)Oc1ccc(OC)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91401
Phase Preclinical
Structure Type MOL
InChI Key QXNWDWQOKSUHPN-UHFFFAOYSA-M
Parent Compound CHEMBL1205378
Active Moiety CHEMBL1205378
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
2.42
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12NaO6P
MW 282.16
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.05

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