Natural Product: NPC274550

Natural Product ID:  NPC274550
Common Name:   Hadacidin
IUPAC Name:   2-[formyl(hydroxy)amino]acetic acid
Synonyms:   Hadacidin
Molecular Formula:   C3H5NO4
Standard InCHIKey:  URJHVPKUWOUENU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
Canonical SMILES:  O=CN(CC(=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
NPO15947 Penicillium glabrum Species Aspergillaceae Eukaryota UNPD*
NPO4434 Bignonia hyacinthina Species Bignoniaceae Eukaryota UNPD*
NPO14986 Haplophyton crooksii Species Apocynaceae Eukaryota UNPD*
NPO14068 Viburnum prunifolium Species Adoxaceae Eukaryota UNPD*
NPO8822 Alphonsea ventricosa Species Annonaceae Eukaryota UNPD*
NPO13357 Vancouveria hexandra Species Berberidaceae Eukaryota UNPD*
NPO12507 Bixa orellana Species Bixaceae Eukaryota UNPD*
NPO390 Tectocoris diophthalmus Species Scutelleridae Eukaryota UNPD*
NPO6109 Lonchocarpus subglaucescens Species Fabaceae Eukaryota UNPD*
NPO15629 Byssochlamys nivea Species Thermoascaceae Eukaryota UNPD*
NPO14471 Streptomyces luridus Species Streptomycetaceae Bacteria UNPD*
NPO9299.2 Hordeum vulgare subsp. vulgare Subspecies Poaceae Eukaryota UNPD*
NPO12032 Oxylobus adscendens NA NA NA UNPD*
NPO10938 Psychotria prunifolia Species Rubiaceae Eukaryota UNPD*
NPO11443 Bistorta amplexicaulis Species Polygonaceae Eukaryota UNPD*
NPO10234 [brevibacterium] flavum Species Corynebacteriaceae Bacteria UNPD*
NPO21233 Pteris linearis Species Pteridaceae Eukaryota UNPD*
NPO21402 Vespula vulgaris Species Vespidae Eukaryota UNPD*
NPO14365 Eysenhardtia subcoriacea Species Fabaceae Eukaryota UNPD*
NPO18450 Oxytropis campestris Species Fabaceae Eukaryota UNPD*
NPO9544 Eria angustifolia Species Orchidaceae Eukaryota UNPD*
NPO10103 Senecio iodanthus Species Asteraceae Eukaryota UNPD*
NPO5236 Polygonatum biflorum Species Asparagaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5640 Individual Protein Adenylosuccinate synthetase 2 Homo sapiens IC50 = 3500 nM 15214773
NPT2 Others Unspecified Inhibition = 80 % 21129960

  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 NPC274550 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
0.6667 Remote Similarity NPC216443
0.6585 Remote Similarity NPC134570
0.625 Remote Similarity NPC59650
0.5897 Remote Similarity NPC126681
0.5714 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 NPC274550 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
0.675 Remote Similarity NPD8800 Approved
0.625 Remote Similarity NPD8796 Approved
0.625 Remote Similarity NPD8795 Approved
0.625 Remote Similarity NPD8799 Approved
0.6222 Remote Similarity NPD335 Approved
0.6222 Remote Similarity NPD331 Approved
0.6087 Remote Similarity NPD334 Phase 3
0.6087 Remote Similarity NPD1433 Approved
0.6087 Remote Similarity NPD1437 Approved
0.5897 Remote Similarity NPD7371 Approved
0.5833 Remote Similarity NPD2260 Approved
0.5833 Remote Similarity NPD2261 Phase 3
0.5778 Remote Similarity NPD333 Approved
0.5778 Remote Similarity NPD330 Approved
0.5778 Remote Similarity NPD336 Approved
0.5778 Remote Similarity NPD332 Approved
0.5652 Remote Similarity NPD1438 Approved
0.5652 Remote Similarity NPD1434 Approved
0.5652 Remote Similarity NPD1435 Approved
0.5652 Remote Similarity NPD1436 Approved

Structure

External Identifiers

PubChem CID   12717
ChEMBL   CHEMBL331373
ZINC  

Physicochemical Properties

Molecular Weight:  119.02
ALogP:  -1.6056
MLogP:  1.24
XLogP:  -1.688
# Rotatable Bonds:  5
Polar Surface Area:  77.84
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  8

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Similar NPs/Drugs