Natural Product: NPC325307

Natural Product ID:  NPC325307
Common Name:   2-Hydroxy-3-Phosphonooxypropanoic Acid
IUPAC Name:   2-hydroxy-3-phosphonooxypropanoic acid
Synonyms:  
Molecular Formula:   C3H7O7P
Standard InCHIKey:  OSJPPGNTCRNQQC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
Canonical SMILES:  OC(=O)C(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
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO1797 Homo sapiens Species Hominidae Eukaryota cytoplasm PMID[15882454]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[23857558]
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4751 Protein Family Phosphoglycerate kinase Homo sapiens Kd = 112000 nM 10.1016/S0960-894X(01)80286-9
NPT4751 Protein Family Phosphoglycerate kinase Homo sapiens Kd = 94000 nM 10.1016/S0960-894X(01)80286-9
NPT4751 Protein Family Phosphoglycerate kinase Homo sapiens Kd = 121000 nM 10.1016/S0960-894X(01)80286-9

  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 NPC325307 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 NPC322956
0.9024 High Similarity NPC320624
0.9024 High Similarity NPC318951
0.8444 Intermediate Similarity NPC328954
0.825 Intermediate Similarity NPC328950
0.8205 Intermediate Similarity NPC159089
0.7632 Intermediate Similarity NPC329270
0.7273 Intermediate Similarity NPC100742
0.7273 Intermediate Similarity NPC121018
0.7273 Intermediate Similarity NPC19044
0.7273 Intermediate Similarity NPC97444
0.7273 Intermediate Similarity NPC192402
0.7273 Intermediate Similarity NPC24751
0.7273 Intermediate Similarity NPC35661
0.7179 Intermediate Similarity NPC321170
0.7179 Intermediate Similarity NPC307739
0.7179 Intermediate Similarity NPC266566
0.7179 Intermediate Similarity NPC31433
0.7179 Intermediate Similarity NPC76217
0.6909 Remote Similarity NPC323945
0.6786 Remote Similarity NPC320296
0.675 Remote Similarity NPC261351
0.6512 Remote Similarity NPC5505
0.6444 Remote Similarity NPC116125
0.6364 Remote Similarity NPC3547
0.6279 Remote Similarity NPC325165
0.6279 Remote Similarity NPC191084
0.6279 Remote Similarity NPC250870
0.6279 Remote Similarity NPC168052
0.6136 Remote Similarity NPC103612
0.6136 Remote Similarity NPC24967
0.6087 Remote Similarity NPC316217
0.6087 Remote Similarity NPC222792
0.6053 Remote Similarity NPC317545
0.6053 Remote Similarity NPC165122
0.6042 Remote Similarity NPC313565
0.6042 Remote Similarity NPC259982
0.6042 Remote Similarity NPC228782
0.5962 Remote Similarity NPC286989
0.5957 Remote Similarity NPC320331
0.5926 Remote Similarity NPC277878
0.5926 Remote Similarity NPC317680
0.5897 Remote Similarity NPC3343
0.5818 Remote Similarity NPC196612
0.5818 Remote Similarity NPC19676
0.5818 Remote Similarity NPC323401
0.58 Remote Similarity NPC38891
0.58 Remote Similarity NPC270088
0.58 Remote Similarity NPC242655
0.5714 Remote Similarity NPC6883
0.566 Remote Similarity NPC46254
0.5641 Remote Similarity NPC82694
0.56 Remote Similarity NPC319680

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC325307 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
0.7368 Intermediate Similarity NPD8235 Approved
0.7368 Intermediate Similarity NPD8234 Approved
0.7368 Intermediate Similarity NPD8236 Phase 1
0.7273 Intermediate Similarity NPD8602 Approved
0.7273 Intermediate Similarity NPD8600 Approved
0.7273 Intermediate Similarity NPD8605 Approved
0.7273 Intermediate Similarity NPD8603 Approved
0.7273 Intermediate Similarity NPD8604 Approved
0.7273 Intermediate Similarity NPD8601 Approved
0.7273 Intermediate Similarity NPD8598 Approved
0.7273 Intermediate Similarity NPD8599 Approved
0.7179 Intermediate Similarity NPD8205 Approved
0.7179 Intermediate Similarity NPD8202 Approved
0.7179 Intermediate Similarity NPD8237 Approved
0.6923 Remote Similarity NPD55 Approved
0.6923 Remote Similarity NPD8204 Approved
0.6923 Remote Similarity NPD54 Approved
0.6923 Remote Similarity NPD8206 Approved
0.6923 Remote Similarity NPD8203 Approved
0.6316 Remote Similarity NPD8219 Approved
0.6316 Remote Similarity NPD8220 Approved
0.5926 Remote Similarity NPD65 Approved
0.5926 Remote Similarity NPD8960 Approved
0.5926 Remote Similarity NPD9007 Approved
0.5926 Remote Similarity NPD9008 Approved
0.5926 Remote Similarity NPD9009 Approved
0.5926 Remote Similarity NPD9011 Approved
0.5926 Remote Similarity NPD72 Approved
0.5926 Remote Similarity NPD9010 Approved
0.5926 Remote Similarity NPD64 Approved
0.5926 Remote Similarity NPD66 Approved
0.5641 Remote Similarity NPD8207 Approved

Structure

External Identifiers

PubChem CID   724
ChEMBL   CHEMBL87788
ZINC  

Physicochemical Properties

Molecular Weight:  185.99
ALogP:  -1.2417
MLogP:  0.91
XLogP:  -2.952
# Rotatable Bonds:  8
Polar Surface Area:  134.1
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  11

Download Data

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Similar NPs/Drugs