Natural Product: NPC329128

Natural Product ID:  NPC329128
Common Name:   [(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl] Dihydrogen Phosphate
IUPAC Name:   [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
Synonyms:  
Molecular Formula:   C5H11O8P
Standard InCHIKey:  YXJDFQJKERBOBM-TXICZTDVSA-N
Standard InCHI:  InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)OP(=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 cytoplasm PMID[15882454]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 10000000 nM 12657258

  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 NPC329128 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 NPC322158
0.898 High Similarity NPC329095
0.88 High Similarity NPC103672
0.88 High Similarity NPC320043
0.8627 High Similarity NPC317501
0.8627 High Similarity NPC317626
0.8627 High Similarity NPC314821
0.8478 Intermediate Similarity NPC320189
0.7708 Intermediate Similarity NPC291502
0.7708 Intermediate Similarity NPC298699
0.7708 Intermediate Similarity NPC317182
0.7708 Intermediate Similarity NPC86191
0.7708 Intermediate Similarity NPC134252
0.7708 Intermediate Similarity NPC213159
0.7551 Intermediate Similarity NPC29721
0.7358 Intermediate Similarity NPC323574
0.7273 Intermediate Similarity NPC130683
0.7273 Intermediate Similarity NPC323361
0.7255 Intermediate Similarity NPC289758
0.7255 Intermediate Similarity NPC199857
0.7255 Intermediate Similarity NPC176017
0.7255 Intermediate Similarity NPC92246
0.7255 Intermediate Similarity NPC285364
0.7255 Intermediate Similarity NPC69445
0.7255 Intermediate Similarity NPC73906
0.7255 Intermediate Similarity NPC165846
0.7255 Intermediate Similarity NPC255377
0.7255 Intermediate Similarity NPC21209
0.7115 Intermediate Similarity NPC252918
0.7115 Intermediate Similarity NPC321087
0.7115 Intermediate Similarity NPC277475
0.7115 Intermediate Similarity NPC230789
0.6981 Remote Similarity NPC14144
0.6909 Remote Similarity NPC326533
0.6863 Remote Similarity NPC320240
0.6863 Remote Similarity NPC70756
0.6852 Remote Similarity NPC82512
0.6852 Remote Similarity NPC157193
0.6852 Remote Similarity NPC42503
0.6852 Remote Similarity NPC299781
0.6852 Remote Similarity NPC282143
0.678 Remote Similarity NPC219040
0.6739 Remote Similarity NPC227267
0.6667 Remote Similarity NPC89145
0.6667 Remote Similarity NPC246558
0.6667 Remote Similarity NPC165198
0.6667 Remote Similarity NPC58629
0.6667 Remote Similarity NPC107914
0.6667 Remote Similarity NPC67660
0.6667 Remote Similarity NPC290179
0.6667 Remote Similarity NPC34877
0.6667 Remote Similarity NPC242073
0.6667 Remote Similarity NPC145112
0.6667 Remote Similarity NPC157514
0.6667 Remote Similarity NPC269166
0.6607 Remote Similarity NPC233726
0.6607 Remote Similarity NPC23134
0.6607 Remote Similarity NPC124963
0.6552 Remote Similarity NPC303727
0.6545 Remote Similarity NPC325822
0.6545 Remote Similarity NPC61270
0.6458 Remote Similarity NPC313405
0.6452 Remote Similarity NPC472026
0.6304 Remote Similarity NPC266566
0.6304 Remote Similarity NPC197207
0.6304 Remote Similarity NPC187058
0.6304 Remote Similarity NPC321170
0.6304 Remote Similarity NPC182541
0.6304 Remote Similarity NPC31433
0.6304 Remote Similarity NPC127074
0.6304 Remote Similarity NPC149070
0.629 Remote Similarity NPC174485
0.6275 Remote Similarity NPC266553
0.625 Remote Similarity NPC268243
0.623 Remote Similarity NPC472025
0.6207 Remote Similarity NPC322803
0.6207 Remote Similarity NPC321102
0.6207 Remote Similarity NPC278465
0.6207 Remote Similarity NPC325153
0.6182 Remote Similarity NPC314613
0.6129 Remote Similarity NPC317023
0.6071 Remote Similarity NPC112363
0.6066 Remote Similarity NPC148424
0.5965 Remote Similarity NPC46254
0.5965 Remote Similarity NPC328954
0.5938 Remote Similarity NPC477762
0.5938 Remote Similarity NPC477750
0.5938 Remote Similarity NPC477753
0.5938 Remote Similarity NPC477755
0.5938 Remote Similarity NPC477763
0.5938 Remote Similarity NPC477757
0.5918 Remote Similarity NPC66052
0.5918 Remote Similarity NPC86412
0.5918 Remote Similarity NPC293908
0.5918 Remote Similarity NPC192065
0.5918 Remote Similarity NPC325034
0.5873 Remote Similarity NPC320032
0.5873 Remote Similarity NPC322855
0.5806 Remote Similarity NPC3547
0.5781 Remote Similarity NPC143326
0.5781 Remote Similarity NPC323945
0.5692 Remote Similarity NPC320296
0.5692 Remote Similarity NPC155457
0.5672 Remote Similarity NPC6848
0.5652 Remote Similarity NPC301586
0.5652 Remote Similarity NPC33415
0.5634 Remote Similarity NPC321873
0.5614 Remote Similarity NPC88638

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329128 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
0.88 High Similarity NPD9049 Discontinued
0.88 High Similarity NPD9050 Approved
0.8627 High Similarity NPD9036 Phase 3
0.8627 High Similarity NPD9035 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD8788 Approved
0.7551 Intermediate Similarity NPD9006 Approved
0.7273 Intermediate Similarity NPD889 Approved
0.7273 Intermediate Similarity NPD887 Approved
0.7273 Intermediate Similarity NPD894 Approved
0.7273 Intermediate Similarity NPD895 Approved
0.7255 Intermediate Similarity NPD8999 Phase 3
0.7255 Intermediate Similarity NPD9000 Phase 3
0.7255 Intermediate Similarity NPD8998 Phase 2
0.7255 Intermediate Similarity NPD8993 Phase 1
0.7255 Intermediate Similarity NPD8997 Approved
0.6981 Remote Similarity NPD8965 Approved
0.6981 Remote Similarity NPD8966 Approved
0.6909 Remote Similarity NPD904 Phase 3
0.6909 Remote Similarity NPD905 Approved
0.6667 Remote Similarity NPD890 Clinical (unspecified phase)
0.6667 Remote Similarity NPD891 Phase 3
0.6667 Remote Similarity NPD893 Approved
0.6667 Remote Similarity NPD8957 Approved
0.6667 Remote Similarity NPD892 Phase 3
0.6667 Remote Similarity NPD888 Phase 3
0.661 Remote Similarity NPD2267 Suspended
0.6545 Remote Similarity NPD9061 Clinical (unspecified phase)
0.6491 Remote Similarity NPD2269 Approved
0.6471 Remote Similarity NPD8967 Approved
0.6304 Remote Similarity NPD8814 Phase 3
0.6304 Remote Similarity NPD8237 Approved
0.625 Remote Similarity NPD847 Phase 1
0.623 Remote Similarity NPD369 Approved
0.6143 Remote Similarity NPD389 Phase 3
0.6087 Remote Similarity NPD8236 Phase 1
0.6087 Remote Similarity NPD8234 Approved
0.6087 Remote Similarity NPD8235 Approved
0.6071 Remote Similarity NPD9139 Approved
0.5938 Remote Similarity NPD6123 Approved
0.5918 Remote Similarity NPD9052 Approved
0.5918 Remote Similarity NPD9051 Approved
0.5918 Remote Similarity NPD9053 Approved
0.5909 Remote Similarity NPD1457 Discontinued
0.5741 Remote Similarity NPD8958 Phase 2
0.5714 Remote Similarity NPD8994 Approved
0.5652 Remote Similarity NPD8549 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   439236
ChEMBL   CHEMBL603367
ZINC  

Physicochemical Properties

Molecular Weight:  230.02
ALogP:  -1.9385
MLogP:  1.02
XLogP:  -3.112
# Rotatable Bonds:  8
Polar Surface Area:  146.49
# H-Bond Aceptor:  8
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  14

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs