Natural Product: NPC328950

Natural Product ID:  NPC328950
Common Name:   Glyceraldehyde-3-Phosphate
IUPAC Name:   [(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate
Synonyms:  
Molecular Formula:   C3H7O6P
Standard InCHIKey:  LXJXRIRHZLFYRP-VKHMYHEASA-N
Standard InCHI:  InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
Canonical SMILES:  O=C[C@@H](COP(=O)(O)O)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
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1029 Individual Protein Solute carrier organic anion transporter family member 2A1 Homo sapiens Ki = 15000000 nM 11997326

  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 NPC328950 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
0.825 Intermediate Similarity NPC322956
0.825 Intermediate Similarity NPC325307
0.7857 Intermediate Similarity NPC318951
0.7778 Intermediate Similarity NPC261351
0.7442 Intermediate Similarity NPC320624
0.7021 Intermediate Similarity NPC328954
0.6842 Remote Similarity NPC266566
0.6842 Remote Similarity NPC321170
0.6842 Remote Similarity NPC31433
0.6842 Remote Similarity NPC329270
0.6585 Remote Similarity NPC159089
0.6571 Remote Similarity NPC317545
0.617 Remote Similarity NPC270088
0.6111 Remote Similarity NPC3547
0.6 Remote Similarity NPC76217
0.6 Remote Similarity NPC307739
0.6 Remote Similarity NPC320331
0.587 Remote Similarity NPC121018
0.587 Remote Similarity NPC192402
0.587 Remote Similarity NPC24751
0.587 Remote Similarity NPC100742
0.587 Remote Similarity NPC35661
0.587 Remote Similarity NPC19044
0.587 Remote Similarity NPC97444
0.5789 Remote Similarity NPC323945
0.5778 Remote Similarity NPC116125
0.5745 Remote Similarity NPC228782
0.5745 Remote Similarity NPC313565
0.5745 Remote Similarity NPC259982
0.569 Remote Similarity NPC320296

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328950 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
0.7027 Intermediate Similarity NPD8234 Approved
0.7027 Intermediate Similarity NPD8236 Phase 1
0.7027 Intermediate Similarity NPD8235 Approved
0.6842 Remote Similarity NPD8237 Approved
0.6389 Remote Similarity NPD8220 Approved
0.6389 Remote Similarity NPD8219 Approved
0.6154 Remote Similarity NPD8203 Approved
0.6154 Remote Similarity NPD8206 Approved
0.6154 Remote Similarity NPD54 Approved
0.6154 Remote Similarity NPD8204 Approved
0.6154 Remote Similarity NPD55 Approved
0.6 Remote Similarity NPD8205 Approved
0.6 Remote Similarity NPD8202 Approved
0.587 Remote Similarity NPD8599 Approved
0.587 Remote Similarity NPD8601 Approved
0.587 Remote Similarity NPD8598 Approved
0.587 Remote Similarity NPD8602 Approved
0.587 Remote Similarity NPD8605 Approved
0.587 Remote Similarity NPD8600 Approved
0.587 Remote Similarity NPD8603 Approved
0.587 Remote Similarity NPD8604 Approved

Structure

External Identifiers

PubChem CID   439168
ChEMBL   CHEMBL1232918
ZINC  

Physicochemical Properties

Molecular Weight:  170.00
ALogP:  -1.1943
MLogP:  1.02
XLogP:  -2.538
# Rotatable Bonds:  7
Polar Surface Area:  113.87
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  10

Download Data

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