Natural Product: NPC321170

Natural Product ID:  NPC321170
Common Name:   Glycerophosphoric Acid, Alpha-
IUPAC Name:   2,3-dihydroxypropyl dihydrogen phosphate
Synonyms:   Glycerophosphoric Acid, Alpha-
Molecular Formula:   C3H9O6P
Standard InCHIKey:  AWUCVROLDVIAJX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
Canonical SMILES:  OCC(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 saliva PMID[23857558]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Kd = 380 nM 12036355
NPT2 Others Unspecified EC50 = 1580000 nM 12383012

  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 NPC321170 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 NPC31433
1.0 High Similarity NPC266566
0.7931 Intermediate Similarity NPC317545
0.7586 Intermediate Similarity NPC157340
0.7188 Intermediate Similarity NPC33415
0.7188 Intermediate Similarity NPC301586
0.7179 Intermediate Similarity NPC322956
0.7179 Intermediate Similarity NPC325307
0.7 Intermediate Similarity NPC114270
0.6875 Remote Similarity NPC320326
0.6842 Remote Similarity NPC328950
0.6829 Remote Similarity NPC318951
0.6829 Remote Similarity NPC320624
0.6774 Remote Similarity NPC140389
0.6744 Remote Similarity NPC81384
0.6571 Remote Similarity NPC182541
0.6571 Remote Similarity NPC197207
0.6571 Remote Similarity NPC149070
0.6571 Remote Similarity NPC127074
0.6571 Remote Similarity NPC187058
0.6452 Remote Similarity NPC314978
0.6444 Remote Similarity NPC61270
0.6444 Remote Similarity NPC325822
0.6444 Remote Similarity NPC328954
0.6364 Remote Similarity NPC68114
0.6304 Remote Similarity NPC322158
0.6304 Remote Similarity NPC329128
0.625 Remote Similarity NPC88887
0.6207 Remote Similarity NPC236761
0.617 Remote Similarity NPC329095
0.6111 Remote Similarity NPC329270
0.6053 Remote Similarity NPC192065
0.6053 Remote Similarity NPC86412
0.6053 Remote Similarity NPC66052
0.6053 Remote Similarity NPC293908
0.6053 Remote Similarity NPC325034
0.6042 Remote Similarity NPC320043
0.6042 Remote Similarity NPC321102
0.6042 Remote Similarity NPC325153
0.6042 Remote Similarity NPC103672
0.6042 Remote Similarity NPC322803
0.6042 Remote Similarity NPC278465
0.6 Remote Similarity NPC306022
0.6 Remote Similarity NPC314613
0.5918 Remote Similarity NPC314821
0.5918 Remote Similarity NPC317626
0.5918 Remote Similarity NPC317501
0.5882 Remote Similarity NPC120097
0.5882 Remote Similarity NPC272307
0.5806 Remote Similarity NPC299484
0.5676 Remote Similarity NPC317060
0.5667 Remote Similarity NPC163707
0.5625 Remote Similarity NPC39977

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC321170 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
1.0 High Similarity NPD8237 Approved
0.9655 High Similarity NPD8236 Phase 1
0.9655 High Similarity NPD8235 Approved
0.9655 High Similarity NPD8234 Approved
0.8276 Intermediate Similarity NPD8219 Approved
0.8276 Intermediate Similarity NPD8220 Approved
0.7586 Intermediate Similarity NPD8226 Approved
0.7188 Intermediate Similarity NPD8549 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8225 Phase 3
0.6744 Remote Similarity NPD9462 Approved
0.6744 Remote Similarity NPD9463 Phase 3
0.6571 Remote Similarity NPD8814 Phase 3
0.6452 Remote Similarity NPD8559 Clinical (unspecified phase)
0.6444 Remote Similarity NPD9061 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9038 Approved
0.6053 Remote Similarity NPD9051 Approved
0.6053 Remote Similarity NPD9053 Approved
0.6053 Remote Similarity NPD9052 Approved
0.6042 Remote Similarity NPD9050 Approved
0.6042 Remote Similarity NPD9049 Discontinued
0.6 Remote Similarity NPD8218 Approved
0.5918 Remote Similarity NPD9036 Phase 3
0.5918 Remote Similarity NPD9035 Clinical (unspecified phase)
0.5667 Remote Similarity NPD8224 Approved
0.5641 Remote Similarity NPD8612 Approved
0.5625 Remote Similarity NPD7385 Approved
0.561 Remote Similarity NPD8977 Phase 3
0.561 Remote Similarity NPD8976 Approved

Structure

External Identifiers

PubChem CID   754
ChEMBL   CHEMBL358320
ZINC  

Physicochemical Properties

Molecular Weight:  172.01
ALogP:  -1.3439
MLogP:  1.02
XLogP:  -3.109
# Rotatable Bonds:  8
Polar Surface Area:  117.03
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  10

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Similar NPs/Drugs