Natural Product: NPC149567

Natural Product ID:  NPC149567
Common Name:   Ethylene Glycol
IUPAC Name:   ethane-1,2-diol
Synonyms:   1,2-Ethanediol; Ethylene Glycol; Macrogol
Molecular Formula:   C2H6O2
Standard InCHIKey:  LYCAIKOWRPUZTN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
Canonical SMILES:  OCCO
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
NPO29553 Hordei fructus germinatus NA NA NA TCMSP*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO30772 Citrullus vulgaris Species Cucurbitaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT924 Cell Line HSC-2 Homo sapiens CC50 > 400000 nM 17499885
NPT2394 Cell Line HSC-4 Homo sapiens CC50 = 385000 nM 17499885
NPT116 Cell Line HL-60 Homo sapiens CC50 = 221000 nM 17499885
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 199.5 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 163.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6003.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 69008.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 37878.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21300.8 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 9514.7 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 21300.8 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 NPC149567 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
0.7647 Intermediate Similarity NPC2724
0.7273 Intermediate Similarity NPC114270
0.7273 Intermediate Similarity NPC318912
0.7273 Intermediate Similarity NPC157340
0.7273 Intermediate Similarity NPC237965
0.7 Intermediate Similarity NPC236761
0.6957 Remote Similarity NPC317545
0.6957 Remote Similarity NPC304786
0.6957 Remote Similarity NPC140389
0.6957 Remote Similarity NPC165122
0.6667 Remote Similarity NPC329496
0.6667 Remote Similarity NPC230452
0.6667 Remote Similarity NPC128335
0.6667 Remote Similarity NPC317724
0.65 Remote Similarity NPC311000
0.65 Remote Similarity NPC34153
0.64 Remote Similarity NPC272307
0.64 Remote Similarity NPC320326
0.6364 Remote Similarity NPC219266
0.619 Remote Similarity NPC163707
0.6154 Remote Similarity NPC238135
0.6154 Remote Similarity NPC33415
0.6154 Remote Similarity NPC301586
0.5909 Remote Similarity NPC85721
0.5909 Remote Similarity NPC294703
0.5833 Remote Similarity NPC199270
0.5833 Remote Similarity NPC87529
0.5833 Remote Similarity NPC314978
0.5833 Remote Similarity NPC94144
0.5652 Remote Similarity NPC299484
0.5652 Remote Similarity NPC110344
0.5652 Remote Similarity NPC88839
0.56 Remote Similarity NPC88887
0.56 Remote Similarity NPC213764
0.56 Remote Similarity NPC82694

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC149567 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
1.0 High Similarity NPD7374 Approved
0.7273 Intermediate Similarity NPD8226 Approved
0.7273 Intermediate Similarity NPD8225 Phase 3
0.65 Remote Similarity NPD8223 Approved
0.619 Remote Similarity NPD8224 Approved
0.6154 Remote Similarity NPD8549 Clinical (unspecified phase)
0.5714 Remote Similarity NPD54 Approved
0.5714 Remote Similarity NPD55 Approved
0.5714 Remote Similarity NPD8206 Approved
0.5714 Remote Similarity NPD8235 Approved
0.5714 Remote Similarity NPD8234 Approved
0.5714 Remote Similarity NPD8236 Phase 1
0.5714 Remote Similarity NPD8203 Approved
0.5714 Remote Similarity NPD8204 Approved
0.5652 Remote Similarity NPD8196 Approved
0.56 Remote Similarity NPD8207 Approved

Structure

External Identifiers

PubChem CID   174
ChEMBL   CHEMBL457299
ZINC  

Physicochemical Properties

Molecular Weight:  62.04
ALogP:  -0.8974
MLogP:  1.46
XLogP:  -1.208
# Rotatable Bonds:  3
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  4

Download Data

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Biological Activities  
Similar NPs/Drugs