Natural Product: NPC77662

Natural Product ID:  NPC77662
Common Name:   Methylamine
IUPAC Name:   methanamine
Synonyms:   Methanaminium; Methylamine
Molecular Formula:   CH5N
Standard InCHIKey:  BAVYZALUXZFZLV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH5N/c1-2/h2H2,1H3
Canonical SMILES:  CN
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
NPO11457 Chelidonium majus Species Papaveraceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-015-0840-5]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[16260971]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[15380725]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17269711]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO24009 Claviceps purpurea Species Clavicipitaceae Eukaryota TCM_Taiwan*
NPO30238 Penaeus orientalis Species Penaeidae Eukaryota TCM_Taiwan*
NPO29686 Chelidonii herba NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3043 Individual Protein Choline transporter Mus musculus Ki = 35075187.4 nM 20637607

  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 NPC77662 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
0.6923 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 NPC77662 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   6329
ChEMBL   CHEMBL43280
ZINC  

Physicochemical Properties

Molecular Weight:  31.04
ALogP:  -0.6476
MLogP:  1.46
XLogP:  -0.566
# Rotatable Bonds:  1
Polar Surface Area:  26.02
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  2

Download Data

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Similar NPs/Drugs