Natural Product: NPC320823

Natural Product ID:  NPC320823
Common Name:   Formamide
IUPAC Name:   formamide
Synonyms:  
Molecular Formula:   CH3NO
Standard InCHIKey:  ZHNUHDYFZUAESO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Canonical SMILES:  OC=N
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
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus LD10 = 200 mg/kg/day 3712373
NPT32 Organism Mus musculus Mus musculus LD50 = 270 mg/kg/day 3712373
NPT2 Others Unspecified Potency 1548.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 67651.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24226.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13802.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15486.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15145.3 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 21875.1 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 NPC320823 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
0.6316 Remote Similarity NPC8249

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC320823 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
NPD

Structure

External Identifiers

PubChem CID   713
ChEMBL   CHEMBL266160
ZINC  

Physicochemical Properties

Molecular Weight:  45.02
ALogP:  -0.1505
MLogP:  1.35
XLogP:  0.09
# Rotatable Bonds:  1
Polar Surface Area:  44.08
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  3

Download Data

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