Natural Product: NPC141953

Natural Product ID:  NPC141953
Common Name:   [(4S)-2,5-Dioxoimidazolidin-4-Yl]Urea
IUPAC Name:   [(4S)-2,5-dioxoimidazolidin-4-yl]urea
Synonyms:  
Molecular Formula:   C4H6N4O3
Standard InCHIKey:  POJWUDADGALRAB-SFOWXEAESA-N
Standard InCHI:  InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1
Canonical SMILES:  OC(=N)N[C@H]1N=C(N=C1O)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
NPO8707.1 Pueraria montana var. lobata Varieties Fabaceae Eukaryota TM-MC*
NPO15810 Zea mays Species Poaceae Eukaryota TM-MC*
NPO22457 Swertia calycina Species Gentianaceae Eukaryota UNPD*
NPO23820 Indigofera suffruticosa Species Fabaceae Eukaryota UNPD*
NPO23903 Senecio glanduloso-pilosus Species Asteraceae Eukaryota UNPD*
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO15077 Achyranthes bidentata Species Amaranthaceae Eukaryota TM-MC*
NPO14123 Achyranthes fauriei Species Amaranthaceae Eukaryota TM-MC*
NPO23189 Achyranthes japonica Species Amaranthaceae Eukaryota TM-MC*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO24833 Dioscorea polystachya Species Dioscoreaceae Eukaryota TM-MC*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota TM-MC*
NPO7863 Dioscorea opposita Species Dioscoreaceae Eukaryota TM-MC*
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set

  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 NPC141953 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
1.0 High Similarity NPC153556
0.8 Intermediate Similarity NPC27836
0.64 Remote Similarity NPC40511
0.5849 Remote Similarity NPC195448

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC141953 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 NPD8587 Approved
0.8 Intermediate Similarity NPD8607 Phase 3
0.6182 Remote Similarity NPD8815 Suspended
0.6 Remote Similarity NPD8574 Phase 2
0.5909 Remote Similarity NPD8613 Approved
0.5849 Remote Similarity NPD8793 Approved
0.5849 Remote Similarity NPD8792 Approved
0.5849 Remote Similarity NPD8621 Approved
0.5763 Remote Similarity NPD8864 Clinical (unspecified phase)
0.5645 Remote Similarity NPD1155 Discontinued
0.5636 Remote Similarity NPD8583 Phase 2

Structure

External Identifiers

PubChem CID   439714
ChEMBL   CHEMBL1230080
ZINC  

Physicochemical Properties

Molecular Weight:  158.04
ALogP:  -0.2279
MLogP:  1.13
XLogP:  -0.469
# Rotatable Bonds:  5
Polar Surface Area:  121.29
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  11

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs