Natural Product: NPC270319

Natural Product ID:  NPC270319
Common Name:   2-(5-Aminopentyl)Guanidine
IUPAC Name:   2-(5-aminopentyl)guanidine
Synonyms:  
Molecular Formula:   C6H16N4
Standard InCHIKey:  XJHFHPPZQVRVHD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)
Canonical SMILES:  NCCCCCNC(=N)N
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
NPO21260 Nectandra pichurim Species Lauraceae Eukaryota UNPD*
NPO20977 Capparis masaikai Species Capparaceae Eukaryota UNPD*
NPO22602 Pityrogramma tartarea Species Pteridaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1879 Individual Protein Deoxyhypusine synthase Rattus norvegicus IC50 = 29000 nM 7636868

  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 NPC270319 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
0.9143 High Similarity NPC163099
0.8684 High Similarity NPC240230
0.7021 Intermediate Similarity NPC32934
0.6842 Remote Similarity NPC320889
0.6585 Remote Similarity NPC74599
0.6579 Remote Similarity NPC95589
0.6486 Remote Similarity NPC152949
0.6486 Remote Similarity NPC193536
0.6444 Remote Similarity NPC97568
0.6444 Remote Similarity NPC253366
0.6383 Remote Similarity NPC188989
0.6216 Remote Similarity NPC27675
0.62 Remote Similarity NPC110136
0.6154 Remote Similarity NPC21157
0.6078 Remote Similarity NPC153280
0.6053 Remote Similarity NPC270175
0.6 Remote Similarity NPC306277
0.5962 Remote Similarity NPC245768
0.5932 Remote Similarity NPC278881
0.5909 Remote Similarity NPC326791
0.5763 Remote Similarity NPC226453
0.5763 Remote Similarity NPC103130
0.5641 Remote Similarity NPC232311
0.5625 Remote Similarity NPC223653

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC270319 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
0.8974 High Similarity NPD9458 Approved
0.8649 High Similarity NPD9059 Approved
0.7778 Intermediate Similarity NPD396 Approved
0.7778 Intermediate Similarity NPD395 Approved
0.6744 Remote Similarity NPD9015 Phase 2
0.6579 Remote Similarity NPD401 Approved
0.6364 Remote Similarity NPD1155 Discontinued
0.6279 Remote Similarity NPD2707 Clinical (unspecified phase)
0.6 Remote Similarity NPD1156 Clinical (unspecified phase)
0.587 Remote Similarity NPD9227 Discontinued
0.5854 Remote Similarity NPD2276 Clinical (unspecified phase)
0.5833 Remote Similarity NPD2703 Discontinued
0.5789 Remote Similarity NPD9063 Approved
0.5789 Remote Similarity NPD9064 Approved
0.5763 Remote Similarity NPD9047 Approved
0.5763 Remote Similarity NPD9048 Approved
0.5763 Remote Similarity NPD9045 Approved
0.5763 Remote Similarity NPD9046 Phase 3
0.5738 Remote Similarity NPD9231 Phase 3
0.5738 Remote Similarity NPD9233 Phase 3
0.5738 Remote Similarity NPD9232 Phase 2
0.5714 Remote Similarity NPD8793 Approved
0.5714 Remote Similarity NPD8792 Approved
0.5641 Remote Similarity NPD9465 Approved

Structure

External Identifiers

PubChem CID   21298950
ChEMBL   CHEMBL103489
ZINC  

Physicochemical Properties

Molecular Weight:  144.14
ALogP:  -2.0602
MLogP:  1.68
XLogP:  0.115
# Rotatable Bonds:  8
Polar Surface Area:  87.92
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  10

Download Data

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