Natural Product: NPC148983

Natural Product ID:  NPC148983
Common Name:   4-Methyl-1,3-Thiazole
IUPAC Name:   4-methyl-1,3-thiazole
Synonyms:  
Molecular Formula:   C4H5NS
Standard InCHIKey:  QMHIMXFNBOYPND-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
Canonical SMILES:  Cc1cscn1
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[21970810]

  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 = 6309.6 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 32629.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6513.1 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Ki = 5420000 nM 556774
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Ki = 3250000 nM 556774
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Ki = 6070000 nM 556774
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Ki = 109000000 nM 556774
NPT2 Others Unspecified Potency 59411.6 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 NPC148983 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
0.7333 Intermediate Similarity NPC101174
0.7143 Intermediate Similarity NPC261708
0.6354 Remote Similarity NPC323937
0.62 Remote Similarity NPC162460

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC148983 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
0.8933 High Similarity NPD8569 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9104 Approved
0.6531 Remote Similarity NPD879 Approved
0.6531 Remote Similarity NPD878 Approved
0.6354 Remote Similarity NPD9436 Approved
0.5849 Remote Similarity NPD9402 Discontinued

Structure

External Identifiers

PubChem CID   12748
ChEMBL   CHEMBL1566946
ZINC  

Physicochemical Properties

Molecular Weight:  99.01
ALogP:  1.0301
MLogP:  1.68
XLogP:  1.22
# Rotatable Bonds:  1
Polar Surface Area:  41.13
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  6

Download Data

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Similar NPs/Drugs