Natural Product: NPC470665

Natural Product ID:  NPC470665
Common Name:   Elaiomycin G
IUPAC Name:  
Synonyms:   Elaiomycin G
Molecular Formula:   C13H26N2O4
Standard InCHIKey:  AGSWTKCQYPFPKZ-ULNCKAKWSA-N
Standard InCHI:  InChI=1S/C13H26N2O4/c1-11(16)8-6-4-5-7-9-15(18)14-13(10-19-3)12(2)17/h12-13,17H,4-10H2,1-3H3/b15-14-/t12-,13-/m0/s1
Canonical SMILES:  COC[C@@H]([C@@H](O)C)/N=N(O)/CCCCCCC(=O)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
NPO32477 Streptomyces sp. Under-species NA NA PMID[23013356]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 0 mm 23558238
NPT3473 Organism Mycobacterium vaccae Mycobacterium vaccae IZ = 11 mm 18597527
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 24913558
NPT3474 Organism Sporidiobolus salmonicolor Sporidiobolus salmonicolor IZ = 13 mm 25338180
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 25338277
NPT111 Cell Line K562 Homo sapiens GI50 > 50 ug/ml 25304895
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 22951114
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm PubChem BioAssay data set
NPT737 Cell Line HUVEC Homo sapiens GI50 > 50 ug/ml 25437304
NPT165 Cell Line HeLa Homo sapiens CC50 > 50 ug/ml 25140384
NPT184 Organism Aspergillus terreus Aspergillus terreus IZ = 0 mm 17938185
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 19581457
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 19581457
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum IZ = 0 mm 23972215
NPT21 Organism Aspergillus niger Aspergillus niger IZ = 0 mm 22037378
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 0 mm 22037378
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 22037378

  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 NPC470665 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
0.8421 Intermediate Similarity NPC470664
0.7681 Intermediate Similarity NPC470662
0.6984 Remote Similarity NPC470666
0.6522 Remote Similarity NPC51166
0.6301 Remote Similarity NPC470663
0.6071 Remote Similarity NPC253975
0.6071 Remote Similarity NPC192025
0.6071 Remote Similarity NPC125253
0.6053 Remote Similarity NPC306973
0.5909 Remote Similarity NPC123814
0.5909 Remote Similarity NPC474322
0.5821 Remote Similarity NPC270041
0.5806 Remote Similarity NPC469781
0.5789 Remote Similarity NPC474298
0.5789 Remote Similarity NPC28348
0.5789 Remote Similarity NPC474299
0.5789 Remote Similarity NPC475808
0.5789 Remote Similarity NPC473985
0.5781 Remote Similarity NPC96966
0.5781 Remote Similarity NPC29222
0.5781 Remote Similarity NPC121062
0.5769 Remote Similarity NPC320865
0.5769 Remote Similarity NPC477643
0.5769 Remote Similarity NPC477641
0.5714 Remote Similarity NPC477642
0.5645 Remote Similarity NPC76051
0.5616 Remote Similarity NPC17455
0.561 Remote Similarity NPC316242
0.56 Remote Similarity NPC326651
0.56 Remote Similarity NPC325117
0.56 Remote Similarity NPC322319

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470665 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
0.5909 Remote Similarity NPD3215 Phase 1
0.5769 Remote Similarity NPD2256 Clinical (unspecified phase)
0.5606 Remote Similarity NPD3214 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL2152472
ZINC  

Physicochemical Properties

Molecular Weight:  274.19
ALogP:  -2.7804
MLogP:  2.23
XLogP:  0.5
# Rotatable Bonds:  15
Polar Surface Area:  87.64
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  19

Download Data

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Biological Activities  
Similar NPs/Drugs