Natural Product: NPC473528

Natural Product ID:  NPC473528
Common Name:   (3S,Sp)-3-Amino-1-Amino(Sulfoamino)Phosphinyl-2-Piperidinone
IUPAC Name:   [amino-[(3S)-3-amino-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid
Synonyms:  
Molecular Formula:   C5H13N4O5PS
Standard InCHIKey:  AYVBXTCIPLYEBG-DJBYBYECSA-N
Standard InCHI:  InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15+/m0/s1
Canonical SMILES:  N[C@H]1CCCN(C1=O)[P@](=O)(NS(=O)(=O)O)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
NPO22810 Streptomyces Species Streptomycetaceae Bacteria PMID[15217282]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6262 Individual Protein Dipeptidyl peptidase IV Rattus norvegicus IC50 = 100 ug/ml 22194678

  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 NPC473528 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
1.0 High Similarity NPC207247
1.0 High Similarity NPC474907
1.0 High Similarity NPC475397
0.5867 Remote Similarity NPC287693
0.5844 Remote Similarity NPC322274
0.5625 Remote Similarity NPC185084

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473528 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
0.6875 Remote Similarity NPD614 Discontinued
0.5775 Remote Similarity NPD8784 Clinical (unspecified phase)
0.5694 Remote Similarity NPD9670 Phase 2
0.5694 Remote Similarity NPD9671 Phase 2

Structure

External Identifiers

PubChem CID   11482650
ChEMBL   CHEMBL444722
ZINC  

Physicochemical Properties

Molecular Weight:  272.03
ALogP:  -3.8662
MLogP:  0.8
XLogP:  -2.181
# Rotatable Bonds:  6
Polar Surface Area:  174.01
# H-Bond Aceptor:  9
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  16

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Similar NPs/Drugs