Natural Product: NPC117466

Natural Product ID:  NPC117466
Common Name:   Foscarnet
IUPAC Name:   phosphonoformic acid
Synonyms:   Dihydroxyphosphinecarboxylic Acid Oxide; Foscarnet
Molecular Formula:   CH3O5P
Standard InCHIKey:  ZJAOAACCNHFJAH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
Canonical SMILES:  OC(=O)P(=O)(O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO13391 Streptomyces hygroscopicus Species Streptomycetaceae Bacteria StreptomeDB*
NPO13391.55 Streptomyces hygroscopicus sf-1293 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT605 Organism Homo sapiens Homo sapiens Ratio = 0.65 11384238
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 39000 nM 9057867
NPT859 Cell Line HFF Homo sapiens IC50 > 100000 nM 9057867
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 1490 ug/ml 2838633
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 189 ug/ml 2838633
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Therapeutic index = 8 2838633
NPT3794 Cell Line ATH-8 cell line MIC = 350000 nM 2427720
NPT2192 Cell Line HEL Homo sapiens EC50 = 53000 nM 15027877
NPT2192 Cell Line HEL Homo sapiens EC50 = 62000 nM 15027877
NPT2192 Cell Line HEL Homo sapiens CC50 = 500000 nM 15027877
NPT25 Cell Line MT4 Homo sapiens EC50 = 133000 nM 15189038
NPT25 Cell Line MT4 Homo sapiens EC50 = 140000 nM 15189038
NPT404 Cell Line CCRF-CEM Homo sapiens EC50 = 121000 nM 15189038
NPT404 Cell Line CCRF-CEM Homo sapiens EC50 > 10000 nM 15189038
NPT25 Cell Line MT4 Homo sapiens EC50 = 87000 nM 15189038
NPT25 Cell Line MT4 Homo sapiens CC50 = 230000 nM 15189038
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 IC50 = 24000 nM 15189038
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 IC50 = 56000 nM 15189038
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 44000 nM 15189038
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 > 300000 nM 15189038
NPT2 Others Unspecified Ratio > 6.9 15189038
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 64.9 ug/ml 11262090
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 38.7 ug/ml 11262090
NPT4350 Cell Line HEL 299 CC50 > 300 ug/ml 11262090
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 238000 nM 2842506
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 794000 nM 2842506
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 79400 nM 2842506
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 79400 nM 2842506
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 238000 nM 2842506
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 159000 nM 2842506
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 317000 nM 2842506
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 0.13 nM 2521518
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ID50 = 0.12 nM 2521518
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = -63 % 1479588
NPT859 Cell Line HFF Homo sapiens IC50 = 39000 nM 10882372
NPT859 Cell Line HFF Homo sapiens IC50 > 100000 nM 10882372
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 39000 nM 8071942
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 > 100000 nM 8071942
NPT165 Cell Line HeLa Homo sapiens EC50 = 133000 nM 9258355
NPT165 Cell Line HeLa Homo sapiens EC50 > 1000000 nM 9258355
NPT165 Cell Line HeLa Homo sapiens EC50 = 65000 nM 9258355
NPT165 Cell Line HeLa Homo sapiens TC50 = 1 nM 9258355
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 39000 nM 9057868
NPT859 Cell Line HFF Homo sapiens IC50 = 100000 nM 9057868
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 39000 nM 9575044
NPT605 Organism Homo sapiens Homo sapiens IC50 > 100000 nM 9575044
NPT32 Organism Mus musculus Mus musculus EC50 = 110000 nM 1992143
NPT32 Organism Mus musculus Mus musculus EC50 = 42800 nM 1992143
NPT32 Organism Mus musculus Mus musculus EC50 = 1000000 nM 1992143
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 14200000 nM 15745821
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 820000 nM 15745821
NPT1143 Individual Protein Carbonic anhydrase VA Homo sapiens Ki = 41700000 nM 15745821
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 2210000 nM 15745821
NPT32 Organism Mus musculus Mus musculus Activity = 7 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 12.3 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 6 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 18.5 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 1 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 9.2 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 0 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 15.2 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 5 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 10.4 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 4 15916444
NPT32 Organism Mus musculus Mus musculus Activity = 17.8 15916444
NPT4229 Individual Protein Human herpesvirus 5 DNA polymerase Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5) IC50 = 2500 nM 16134946
NPT2215 Individual Protein DNA polymerase alpha subunit Homo sapiens IC50 > 20000 nM 16134946
NPT4231 Individual Protein DNA polymerase Varicella-zoster virus (strain Dumas) (HHV-3) (Human herpesvirus 3) IC50 < 280 nM 16134946
NPT4232 Individual Protein DNA polymerase delta subunit 1 Homo sapiens IC50 > 20000 nM 16134946
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 42000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 41000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 45000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 32000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 274000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 308000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 78000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 122000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 431000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 732000 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 62800 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 63400 nM 17043128
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 486300 nM 17043128
NPT2 Others Unspecified Inhibition = 96.46 % 17574419
NPT2 Others Unspecified IC50 = 1300 nM 17574419
NPT2 Others Unspecified IC50 = 2500 nM 17513108
NPT2 Others Unspecified IC50 < 280 nM 17513108
NPT4229 Individual Protein Human herpesvirus 5 DNA polymerase Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5) IC50 = 2500 nM 17434304
NPT2 Others Unspecified IC50 < 280 nM 17434304
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 > 500000 nM 17438061
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 = 250000 nM 17438061
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 = 250000 nM 17438061
NPT189 Cell Line Vero Chlorocebus aethiops CC50 > 1000 nM 17438061
NPT2 Others Unspecified Inhibition = 63 % 2478667
NPT2 Others Unspecified Kd = 400 nM 17145704
NPT2 Others Unspecified Kd = 13900 nM 17145704
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 5000 nM 17172472
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 17 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 14 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 35 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 135 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 37 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 34 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 29 ug/ml 18707089
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 31 ug/ml 18707089
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Activity = 13 % 12762814
NPT2 Others Unspecified IC50 < 280 nM 18595689
NPT2 Others Unspecified IC50 = 2500 nM 18595689
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 125000 nM 19010684
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 112000 nM 19010684
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 64000 nM 19010684
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 46000 nM 19010684
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 67500 nM 19010684
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 400120 nM 19010684
NPT4194 Organism Human adenovirus type 2 Human adenovirus 2 IC50 = 500000 nM 19112024
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 7000 nM 19112024
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 11000 nM 19226140
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 EC50 = 13000 nM 19226140
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 EC50 = 20000 nM 19226140
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 EC50 = 95000 nM 19226140
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 EC50 = 11000 nM 19226140
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 EC50 = 63000 nM 19226140
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 EC50 = 35000 nM 19226140
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 41000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 44000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 137000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 199000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 204000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 176000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 EC50 = 213000 nM 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 FC = 3 17709468
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 FC = 6.3 17709468
NPT2 Others Unspecified IC50 = 2500 nM 20167488
NPT605 Organism Homo sapiens Homo sapiens Activity = 0.17 % 20022146
NPT2 Others Unspecified IC50 = 2500 nM 20403696
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 403000 nM 19770274
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 Ratio EC50 = 0.66 19770274
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 389000 nM 19770274
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 670000 nM 19770274
NPT4352 Organism Duck hepatitis B virus Duck hepatitis B virus IC50 = 106300 nM 21218816
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 < 66000 nM 20733037
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 = 106000 nM 20733037
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 = 644000 nM 20733037
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 < 66000 nM 20733037
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 92000 nM 20733037
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 99000 nM 20733037
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 89000 nM 20733037
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 76000 nM 20733037
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 145000 nM 20733037
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 2500 nM 25144111
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 2800 nM 25144111
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Ratio IC50 = 2.4 25144111
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 5200 nM 25144111
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Ratio IC50 = 4.5 25144111
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 800 nM 25144111
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Ratio IC50 = 0.7 25144111

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC117466 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
NPC

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC117466 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD9754 Approved
0.8667 High Similarity NPD9753 Approved
0.8667 High Similarity NPD9755 Approved
0.8125 Intermediate Similarity NPD9752 Clinical (unspecified phase)
0.6 Remote Similarity NPD9771 Approved
0.6 Remote Similarity NPD9732 Approved

Structure

External Identifiers

PubChem CID   3415
ChEMBL   CHEMBL666
ZINC  

Physicochemical Properties

Molecular Weight:  125.97
ALogP:  -0.4574
MLogP:  0.91
XLogP:  -2.127
# Rotatable Bonds:  4
Polar Surface Area:  104.64
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  7

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs