Natural Product: NPC27675

Natural Product ID:  NPC27675
Common Name:   Norspermidine
IUPAC Name:   N'-(3-aminopropyl)propane-1,3-diamine
Synonyms:   Norspermidine
Molecular Formula:   C6H17N3
Standard InCHIKey:  OTBHHUPVCYLGQO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
Canonical SMILES:  NCCCNCCCN
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
NPO2316 Cyanidium caldarium Species Cyanidiaceae 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 = 41000 nM 7636868
NPT2 Others Unspecified Ki = 5120 nM 12801231
NPT396 Cell Line T47D Homo sapiens Ki = 9500 nM 12951106
NPT1881 Uncleic Acid Calf thymus DNA Bos taurus IC50 = 220000 nM 1875339
NPT317 Uncleic Acid Nucleic Acid IC50 = 140000 nM 1875339
NPT317 Uncleic Acid Nucleic Acid IC50 = 370000 nM 1875339
NPT165 Cell Line HeLa Homo sapiens IC50 = 3000000 nM 1875339
NPT165 Cell Line HeLa Homo sapiens IC50 = 100000 nM 1875339
NPT137 Cell Line L1210 Mus musculus IC50 = 900 nM 9154970
NPT137 Cell Line L1210 Mus musculus IC50 = 500 nM 9154970
NPT610 Others Molecular identity unknown Ki = 7200 nM 9154970
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 62596.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55789.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49722 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62064.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62596.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 78134.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 6206.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 49722 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 69637.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 55789.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55314.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15723.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44314.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6.3 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 62596.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7023.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8766.8 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 NPC27675 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
0.9615 High Similarity NPC193536
0.8929 High Similarity NPC95589
0.8889 High Similarity NPC152949
0.8621 High Similarity NPC320889
0.8214 Intermediate Similarity NPC270175
0.7692 Intermediate Similarity NPC119368
0.7586 Intermediate Similarity NPC232311
0.7576 Intermediate Similarity NPC74599
0.72 Intermediate Similarity NPC309715
0.7143 Intermediate Similarity NPC326791
0.7097 Intermediate Similarity NPC21157
0.6944 Remote Similarity NPC240230
0.6923 Remote Similarity NPC28081
0.6923 Remote Similarity NPC309330
0.6757 Remote Similarity NPC321202
0.6579 Remote Similarity NPC319114
0.6429 Remote Similarity NPC306277
0.6296 Remote Similarity NPC27869
0.6286 Remote Similarity NPC163099
0.6216 Remote Similarity NPC473035
0.6216 Remote Similarity NPC270319
0.6111 Remote Similarity NPC203203
0.6053 Remote Similarity NPC167301
0.5862 Remote Similarity NPC318947
0.575 Remote Similarity NPC15231
0.5714 Remote Similarity NPC258096
0.5667 Remote Similarity NPC83032
0.5667 Remote Similarity NPC125872

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC27675 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
0.8929 High Similarity NPD401 Approved
0.8621 High Similarity NPD1156 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD9064 Approved
0.7857 Intermediate Similarity NPD9063 Approved
0.7742 Intermediate Similarity NPD2276 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD9465 Approved
0.7143 Intermediate Similarity NPD2707 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8544 Approved
0.6923 Remote Similarity NPD8560 Clinical (unspecified phase)
0.6757 Remote Similarity NPD1463 Clinical (unspecified phase)
0.6757 Remote Similarity NPD2273 Clinical (unspecified phase)
0.6316 Remote Similarity NPD8822 Approved
0.6154 Remote Similarity NPD7383 Phase 3
0.6154 Remote Similarity NPD9227 Discontinued
0.5952 Remote Similarity NPD1154 Phase 3
0.5946 Remote Similarity NPD9059 Approved
0.561 Remote Similarity NPD9458 Approved

Structure

External Identifiers

PubChem CID   5942
ChEMBL   CHEMBL28743
ZINC  

Physicochemical Properties

Molecular Weight:  131.14
ALogP:  -2.4498
MLogP:  1.79
XLogP:  -1.012
# Rotatable Bonds:  8
Polar Surface Area:  64.07
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  9

Download Data

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