Natural Product: NPC35268

Natural Product ID:  NPC35268
Common Name:   Tetramethylammonium Ion
IUPAC Name:   tetramethylazanium
Synonyms:   Tetramethyl-Ammonium
Molecular Formula:   C4H12N
Standard InCHIKey:  QEMXHQIAXOOASZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
Canonical SMILES:  C[N+](C)(C)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
NPO5316 Parapristipoma trilineatum Species Haemulidae Eukaryota UNPD*
NPO3536 Calceolaria andina Species Calceolariaceae Eukaryota UNPD*
NPO2016 Asarum europaeum Species Aristolochiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT409 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Homo sapiens Ki = 24 nM 10447950
NPT410 Individual Protein Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens Ki = 2300 nM 10447950

  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 NPC35268 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
0.9167 High Similarity NPC246534
0.9167 High Similarity NPC274538
0.6316 Remote Similarity NPC329501
0.6316 Remote Similarity NPC258096
0.6316 Remote Similarity NPC309367
0.5625 Remote Similarity NPC226340

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC35268 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
0.75 Intermediate Similarity NPD8816 Approved

Structure

External Identifiers

PubChem CID   6380
ChEMBL   CHEMBL46486
ZINC  

Physicochemical Properties

Molecular Weight:  74.10
ALogP:  -1.0347
MLogP:  1.79
XLogP:  -0.128
# Rotatable Bonds:  4
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  5

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Similar NPs/Drugs