Natural Product: NPC319972

Natural Product ID:  NPC319972
Common Name:   Acetohydroxamic Acid
IUPAC Name:   N-hydroxyacetamide
Synonyms:   Acetohydroxamic acid; Lithostat
Molecular Formula:   C2H5NO2
Standard InCHIKey:  RRUDCFGSUDOHDG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Canonical SMILES:  ON=C(O)C
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
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens IC50 = 47000 nM 12166932
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128 ug/ml 11378353
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 128 ug/ml 11378353
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC > 128 ug/ml 11378353
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 11378353
NPT6049 Individual Protein Peptide deformylase Staphylococcus aureus subsp. aureus Mu50 IC50 > 100000 nM 11378353
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Kd = 17000000 nM 15214773
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Kd = 17000000 nM 12477346
NPT3545 Individual Protein Matrix metalloproteinase 9 Mus musculus Inhibition < 5 % 12127537
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens IC50 = 47000 nM 16759856
NPT2 Others Unspecified IC50 = 17000 nM 17400458
NPT2 Others Unspecified IC50 = 19000 nM 17400458
NPT2 Others Unspecified IC50 = 18000 nM 17400458
NPT684 Individual Protein Histone deacetylase 1 Homo sapiens IC50 = 625000 nM 17555962
NPT684 Individual Protein Histone deacetylase 1 Homo sapiens IC50 = 625000 nM 17576064
NPT2 Others Unspecified IC50 = 11000 nM 18625539
NPT2 Others Unspecified Inhibition = 94.3 % 18625539
NPT2 Others Unspecified Ki = 2600 nM 18717581
NPT4885 Individual Protein Urease Canavalia ensiformis IC50 = 17300 nM 17190464
NPT2 Others Unspecified IC50 = 17000 nM 19804978
NPT2 Others Unspecified Inhibition = 91.2 % 19804978
NPT6050 Individual Protein Succinyl-diaminopimelate desuccinylase Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) IC50 > 1000000 nM 19822427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1032000 nM 20185316
NPT2 Others Unspecified Ki = 2600 nM 20684601
NPT2 Others Unspecified IC50 = 17200 nM 20801557
NPT2 Others Unspecified IC50 = 100600 nM 20801557
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis IC50 = 11400000 nM 21189019
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens IC50 = 15000000 nM 21189019
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus Inhibition = 4 % 21189019
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens Inhibition = -97 % 21189019
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition = 10 % 21189019
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens Inhibition = 4 % 21189019
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Inhibition = 25 % 21189019
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 5 % 21189019
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = -2 % 21189019
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition = -12 % 21189019
NPT569 Individual Protein Matrix metalloproteinase 8 Homo sapiens Inhibition = 5 % 21189019
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 56.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 85.21 % 22824761
NPT2 Others Unspecified IC50 = 46270 nM 22824761
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 64400 nM 21780776
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens IC50 = 47000 nM 21413808
NPT2 Others Unspecified Potency 1678.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5956.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 18200 nM 23567958
NPT2 Others Unspecified IC50 = 110000 nM 23974021
NPT2 Others Unspecified IC50 = 27600 nM 23974021
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 91.26 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 100.94 % 23571415
NPT4885 Individual Protein Urease Canavalia ensiformis IC50 = 41500 nM 24185379
NPT2 Others Unspecified Potency 105.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14960.1 nM PubChem BioAssay data set
NPT1090 Individual Protein Matrix metalloproteinase 13 Homo sapiens Kb = 1200 nM 25330343
NPT2 Others Unspecified Ki = 3300 nM 25699141
NPT2 Others Unspecified Ki = 5700 nM 25699141
NPT2 Others Unspecified AC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 40000 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 18400 nM 26113187
NPT2 Others Unspecified IC50 = 104800 nM 26113187
NPT2 Others Unspecified IC50 = 27600 nM 26048027
NPT4885 Individual Protein Urease Canavalia ensiformis IC50 = 42000 nM 26077497
NPT1089 Individual Protein Matrix metalloproteinase 12 Homo sapiens Kd = 6180000 nM 10.1039/C5MD00542F

  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 NPC319972 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
0.7727 Intermediate Similarity NPC85447
0.7391 Intermediate Similarity NPC318463
0.6667 Remote Similarity NPC165568
0.6667 Remote Similarity NPC290188
0.64 Remote Similarity NPC326378
0.6333 Remote Similarity NPC60250
0.5862 Remote Similarity NPC254685
0.5714 Remote Similarity NPC199978
0.5625 Remote Similarity NPC260324

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC319972 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 NPD7369 Approved
0.6 Remote Similarity NPD8613 Approved
0.5862 Remote Similarity NPD8622 Discontinued

Structure

External Identifiers

PubChem CID   1990
ChEMBL   CHEMBL734
ZINC  

Physicochemical Properties

Molecular Weight:  75.03
ALogP:  -0.188
MLogP:  1.35
XLogP:  0.163
# Rotatable Bonds:  3
Polar Surface Area:  52.82
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  5

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