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Compound Detail

CHEMBL754

FOSCARNET SODIUM
💊 Approved Drug
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💊 Approved Drug
O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL754
Name FOSCARNET SODIUM
Phase Approved
Structure Type MOL
InChI Key DFHAXXVZCFXGOQ-UHFFFAOYSA-K
Therapeutic ✓ Yes
Parent Compound CHEMBL666
Active Moiety CHEMBL666

Known Names

A-29622 EHB 776 EHB-776 Foscarnet de sodio Foscarnet sodique Foscarnet sodium Foscarnet sodium anhydrous Foscarnet sodium hexahydrate Foscarnet sodium hydrate Foscarnet trisodium hexahydrate Foscavir NSC-313410 +1 more
5
Targets
21
Activities
2
Assay Types
0
PK Parameters
20
Publications
13
Known Names
7
Indications
1
Mechanisms

Molecular Properties

126.0
MW (Da)
-0.16
ALogP
2
HBA
3
HBD
94.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1991
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

Black Box Warning
USAN Stem fos-
USAN Year 1985

Extended Properties

Molecular Formula CNa3O5P
MW 191.95
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 0.92

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Human herpesvirus 1 DNA polymerase inhibitor INHIBITOR DNA polymerase catalytic subunit ✓ ✓

Indications

Cytomegalovirus Retinitis Pneumonia Primary Immunodeficiency Diseases Digestive System Diseases Herpes Simplex Graft vs Host Disease HIV Infections

Drug Warnings

Black Box Warning
nephrotoxicity
Country: United States
Black Box Warning
neurotoxicity
Country: United States
Black Box Warning
vascular toxicity
Country: United States
Black Box Warning
dermatological toxicity
Country: United States

Activity Summary

Ki 15 meas.
IC50 6 meas. best 5.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 5.69 5.22 2030.0 2
Avian myeloblastosis virus
CHEMBL613550
 IC50 5.03 5.03 9310.0 1
HEL
CHEMBL613888
 IC50 4.81 4.81 15500.0 1
Human betaherpesvirus 5
CHEMBL371
 IC50 4.41 4.41 39000.0 1
DNA polymerase catalytic subunit
CHEMBL1872
 IC50 4.13 4.13 74000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 2030.0 nM 5.69 Inhibitory activity against HIV-1 reverse transcriptase 9240351
Avian myeloblastosis virus IC50 = 9310.0 nM 5.03 Inhibitory effect on recombinant AMV reverse transcriptase (Avian Myeloblastosis... 9240351
HEL IC50 = 15500.0 nM 4.81 Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. 7752205
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 17600.0 nM 4.75 Inhibitory effect on Moloney Murine Leukemia virus (mo-MuLv) recombinant Reverse... 9240351
Human betaherpesvirus 5 IC50 = 39000.0 nM 4.41 Compound was evaluated for the antiviral activity against HCMV determined by usi... 7562945
DNA polymerase catalytic subunit IC50 = 74000.0 nM 4.13 Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay 6298425

Literature References

PubMed DOI Target Context # Activities
3016264 10.1021/jm00158a012 Vero 15
20014752 10.1021/tx900326k Hepatotoxicity 3
9240351 10.1021/jm9607921 Human immunodeficiency virus type 1 reverse transcriptase 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
7752205 10.1021/jm00010a026 HEL 1
7562945 10.1021/jm00020a025 HFF 1
17314045 10.1016/j.bmcl.2007.01.113 Carbonic anhydrase 1 1
17314045 10.1016/j.bmcl.2007.01.113 Carbonic anhydrase 12 1
15501037 10.1016/j.bmcl.2004.09.064 Carbonic anhydrase 9 1
15501037 10.1016/j.bmcl.2004.09.064 Carbonic anhydrase V 1
15501037 10.1016/j.bmcl.2004.09.064 Carbonic anhydrase 4 1
15501037 10.1016/j.bmcl.2004.09.064 Carbonic anhydrase 2 1
15501037 10.1016/j.bmcl.2004.09.064 Carbonic anhydrase 1 1
7562945 10.1021/jm00020a025 Human betaherpesvirus 5 1
6298425 10.1021/jm00356a028 Human alphaherpesvirus 1 1
6298425 10.1021/jm00356a028 DNA polymerase catalytic subunit 1
4067994 10.1021/jm00149a024 Human alphaherpesvirus 2 1
4067994 10.1021/jm00149a024 Human alphaherpesvirus 1 1
4067994 10.1021/jm00149a024 HEp-2 1

Data from ChEMBL 36 via Core Engine