Natural Product: NPC470666

Natural Product ID:  NPC470666
Common Name:   Elaiomycin H
IUPAC Name:  
Synonyms:   Elaiomycin H
Molecular Formula:   C12H25N3O3
Standard InCHIKey:  AEGYQCQXUUGBRT-ICFTUWFRSA-N
Standard InCHI:  InChI=1S/C12H25N3O3/c1-3-4-5-6-7-8-9-15(17)14-11(10-18-2)12(13)16/h11H,3-10H2,1-2H3,(H2,13,16)/b15-14-/t11-/m0/s1
Canonical SMILES:  CCCCCCCC/N(=N/[C@H](C(=N)O)COC)/O
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
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 15387645
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 0 mm 22578460
NPT2 Others Unspecified IC50 = 8880 nM 18280170
NPT2 Others Unspecified IC50 = 3950 nM 8496706
NPT2 Others Unspecified IC50 = 9840 nM 8496706
NPT2 Others Unspecified IC50 = 4650 nM 8496706
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 18020309
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 17428663
NPT111 Cell Line K562 Homo sapiens GI50 = 37.5 ug/ml 25304895
NPT737 Cell Line HUVEC Homo sapiens GI50 = 38.2 ug/ml 25304895
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 21074425
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 21074425
NPT184 Organism Aspergillus terreus Aspergillus terreus IZ = 15 mm 20022253
NPT3473 Organism Mycobacterium vaccae Mycobacterium vaccae IZ = 12 mm 18989978
NPT2 Others Unspecified IC50 = 9490 nM 18411326
NPT2 Others Unspecified IC50 = 5420 nM 18411326
NPT2 Others Unspecified IC50 = 8010 nM 18411326
NPT2 Others Unspecified IC50 = 8570 nM 18411326
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 19581457
NPT2 Others Unspecified IC50 = 1150 nM 23691952
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum IZ = 0 mm 23972215
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 13 mm 25554367
NPT21 Organism Aspergillus niger Aspergillus niger IZ = 0 mm 25554367
NPT2 Others Unspecified IC50 = 5990 nM 12542359
NPT2 Others Unspecified IC50 = 3740 nM 23350733
NPT2 Others Unspecified IC50 = 1200 nM 23350733
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 10.1016/j.cropro.2005.01.009
NPT165 Cell Line HeLa Homo sapiens CC50 = 40.5 ug/ml 19450986
NPT3474 Organism Sporidiobolus salmonicolor Sporidiobolus salmonicolor IZ = 14 mm 19949057

  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 NPC470666 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
0.8148 Intermediate Similarity NPC470664
0.6984 Remote Similarity NPC470665
0.623 Remote Similarity NPC270041
0.6212 Remote Similarity NPC51166
0.6066 Remote Similarity NPC123814
0.6066 Remote Similarity NPC474322
0.6 Remote Similarity NPC105488
0.5932 Remote Similarity NPC96966
0.5932 Remote Similarity NPC121062
0.5932 Remote Similarity NPC29222
0.5806 Remote Similarity NPC137327
0.5775 Remote Similarity NPC470663
0.5763 Remote Similarity NPC289484
0.5763 Remote Similarity NPC319709
0.5735 Remote Similarity NPC17455
0.5735 Remote Similarity NPC145627
0.5692 Remote Similarity NPC8979
0.5625 Remote Similarity NPC471917

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470666 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
0.6066 Remote Similarity NPD3215 Phase 1
0.6 Remote Similarity NPD8198 Approved
0.6 Remote Similarity NPD8197 Approved
0.5862 Remote Similarity NPD1152 Phase 2
0.5763 Remote Similarity NPD379 Clinical (unspecified phase)
0.5763 Remote Similarity NPD3211 Approved
0.5738 Remote Similarity NPD3214 Discontinued
0.5676 Remote Similarity NPD3187 Discontinued
0.5667 Remote Similarity NPD362 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL2152473
ZINC  

Physicochemical Properties

Molecular Weight:  259.19
ALogP:  -2.7028
MLogP:  2.12
XLogP:  2.477
# Rotatable Bonds:  14
Polar Surface Area:  94.42
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  18

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs