Natural Product: NPC85447

Natural Product ID:  NPC85447
Common Name:   Acetamide
IUPAC Name:   acetamide
Synonyms:   Acetamide
Molecular Formula:   C2H5NO
Standard InCHIKey:  DLFVBJFMPXGRIB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
Canonical SMILES:  CC(=N)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
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO30171 Lentinus edodes Species Lentinaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 5.6 nM PubChem BioAssay data set
NPT796 Individual Protein Peripheral myelin protein 22 Homo sapiens Potency = 9528.3 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 7.9 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 1.1 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 7519.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 794.3 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 4256.2 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 37685.8 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 1498.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29081 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 145004.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 143714.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 64771 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 NPC85447 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
0.8571 High Similarity NPC165568
0.7727 Intermediate Similarity NPC318463
0.7727 Intermediate Similarity NPC319972
0.7308 Intermediate Similarity NPC254685
0.72 Intermediate Similarity NPC199978
0.6923 Remote Similarity NPC61558
0.6552 Remote Similarity NPC95174
0.6429 Remote Similarity NPC32955
0.6333 Remote Similarity NPC328698
0.6296 Remote Similarity NPC193043
0.6296 Remote Similarity NPC290188
0.6154 Remote Similarity NPC51414
0.6071 Remote Similarity NPC65940
0.6 Remote Similarity NPC13890

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC85447 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
0.7727 Intermediate Similarity NPD7369 Approved
0.7308 Intermediate Similarity NPD8622 Discontinued
0.6786 Remote Similarity NPD8613 Approved
0.6786 Remote Similarity NPD8794 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8212 Approved

Structure

External Identifiers

PubChem CID   178
ChEMBL   CHEMBL16081
ZINC  

Physicochemical Properties

Molecular Weight:  59.04
ALogP:  -0.0717
MLogP:  1.46
XLogP:  0.326
# Rotatable Bonds:  2
Polar Surface Area:  44.08
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  4

Download Data

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Biological Activities  
Similar NPs/Drugs