Natural Product: NPC283698

Natural Product ID:  NPC283698
Common Name:   Uridine_Diphosphate
IUPAC Name:   [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Synonyms:   UDP; Uridine 5'-Diphosphate; Uridine Diphosphate; Uridine-5'-Diphosphate
Molecular Formula:   C9H14N2O12P2
Standard InCHIKey:  XCCTYIAWTASOJW-XVFCMESISA-N
Standard InCHI:  InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Canonical SMILES:  O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(nc1=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.
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO29604 Lasiosphaera seu calvatia NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3825 Individual Protein Purinergic receptor P2Y1 Homo sapiens EC50 > 100000 nM 12213051
NPT3826 Individual Protein Purinergic receptor P2Y2 Homo sapiens EC50 > 100000 nM 12213051
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 300 nM 12213051
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 15 nM 11754592
NPT3826 Individual Protein Purinergic receptor P2Y2 Homo sapiens EC50 > 10000 nM 11206448
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 100 nM 11206448
NPT2672 Individual Protein Dihydroorotase Homo sapiens Activity = 54 % 10.1016/0960-894X(96)00452-0
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 86 nM 16366591
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 13 nM 16942026
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 42 nM 17125260
NPT4962 Individual Protein Pyrimidinergic receptor P2Y6 Rattus norvegicus EC50 = 200 nM 18760862
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 300 nM 18514530
NPT2 Others Unspecified Inhibition = 22 % 19119008
NPT2 Others Unspecified Kd = 14000 nM 19119008
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 530 nM 19902968
NPT4712 Individual Protein Purinergic receptor P2Y14 Homo sapiens EC50 = 160 nM 19902968
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 140 nM 20095577
NPT909 Individual Protein Seminal ribonuclease Bos taurus Ki = 1046400 nM 19643512
NPT908 Individual Protein Ribonuclease pancreatic Bos taurus Ki = 647000 nM 19643512
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 300 nM 20446735
NPT4712 Individual Protein Purinergic receptor P2Y14 Homo sapiens EC50 = 160 nM 20446735
NPT5696 Individual Protein UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit Homo sapiens IC50 = 1800 nM 21273069
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 849.2 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 29081 nM PubChem BioAssay data set
NPT3826 Individual Protein Purinergic receptor P2Y2 Homo sapiens EC50 = 16500 nM 21417463
NPT3827 Individual Protein Pyrimidinergic receptor P2Y4 Homo sapiens EC50 = 14000 nM 21417463
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 48 nM 21417463
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 316.2 nM PubChem BioAssay data set
NPT4962 Individual Protein Pyrimidinergic receptor P2Y6 Rattus norvegicus EC50 = 200 nM 22107038
NPT2 Others Unspecified IC50 = 46000 nM 22356319
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 150 nM 22901672
NPT4503 Individual Protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Homo sapiens Activity = 50 % 22901672
NPT4507 Individual Protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 Homo sapiens Activity = 45 % 22901672
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 47 nM 22901672
NPT1391 Individual Protein Pyrimidinergic receptor P2Y6 Homo sapiens EC50 = 15 nM 22901672
NPT2 Others Unspecified EC50 = 500 nM 22901672
NPT2 Others Unspecified Ki = 650000 nM 23122937
NPT4712 Individual Protein Purinergic receptor P2Y14 Homo sapiens EC50 = 160000 nM 25868749

  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 NPC283698 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 NPC73765
0.9885 High Similarity NPC36985
0.9885 High Similarity NPC17892
0.9655 High Similarity NPC320249
0.9655 High Similarity NPC322594
0.954 High Similarity NPC324390
0.9121 High Similarity NPC317639
0.908 High Similarity NPC43246
0.908 High Similarity NPC89051
0.8969 High Similarity NPC329277
0.8788 High Similarity NPC149843
0.8788 High Similarity NPC155087
0.8736 High Similarity NPC106780
0.8602 High Similarity NPC324516
0.8602 High Similarity NPC318166
0.8587 High Similarity NPC327344
0.837 Intermediate Similarity NPC315063
0.8229 Intermediate Similarity NPC120887
0.8152 Intermediate Similarity NPC163352
0.8152 Intermediate Similarity NPC210456
0.8144 Intermediate Similarity NPC328779
0.8125 Intermediate Similarity NPC226769
0.8125 Intermediate Similarity NPC280946
0.8125 Intermediate Similarity NPC6166
0.798 Intermediate Similarity NPC328914
0.7857 Intermediate Similarity NPC90240
0.7835 Intermediate Similarity NPC329384
0.7826 Intermediate Similarity NPC71339
0.7826 Intermediate Similarity NPC112842
0.7742 Intermediate Similarity NPC325723
0.764 Intermediate Similarity NPC329077
0.7632 Intermediate Similarity NPC284651
0.7423 Intermediate Similarity NPC171116
0.7396 Intermediate Similarity NPC190334
0.7396 Intermediate Similarity NPC62927
0.7083 Intermediate Similarity NPC229249
0.6989 Remote Similarity NPC325902
0.6634 Remote Similarity NPC328806
0.6557 Remote Similarity NPC315058
0.6531 Remote Similarity NPC319753
0.64 Remote Similarity NPC313962
0.6383 Remote Similarity NPC315806
0.625 Remote Similarity NPC109188
0.6239 Remote Similarity NPC478024
0.6129 Remote Similarity NPC325750
0.6077 Remote Similarity NPC318142
0.5691 Remote Similarity NPC313813
0.56 Remote Similarity NPC470782

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC283698 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 NPD9639 Clinical (unspecified phase)
0.908 High Similarity NPD9581 Clinical (unspecified phase)
0.908 High Similarity NPD9580 Clinical (unspecified phase)
0.8969 High Similarity NPD3129 Phase 3
0.8866 High Similarity NPD3128 Phase 3
0.8539 High Similarity NPD9557 Clinical (unspecified phase)
0.8208 Intermediate Similarity NPD3139 Phase 3
0.8113 Intermediate Similarity NPD3138 Phase 3
0.8105 Intermediate Similarity NPD1686 Approved
0.809 Intermediate Similarity NPD9556 Approved
0.8085 Intermediate Similarity NPD9565 Discontinued
0.8061 Intermediate Similarity NPD5789 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD9561 Approved
0.8 Intermediate Similarity NPD9560 Approved
0.798 Intermediate Similarity NPD1455 Phase 3
0.798 Intermediate Similarity NPD1454 Phase 3
0.7979 Intermediate Similarity NPD755 Phase 3
0.7912 Intermediate Similarity NPD9546 Phase 2
0.7889 Intermediate Similarity NPD9558 Phase 3
0.7826 Intermediate Similarity NPD280 Approved
0.7826 Intermediate Similarity NPD9533 Phase 2
0.7778 Intermediate Similarity NPD502 Approved
0.7766 Intermediate Similarity NPD241 Discontinued
0.766 Intermediate Similarity NPD9562 Discovery
0.766 Intermediate Similarity NPD240 Phase 3
0.766 Intermediate Similarity NPD170 Approved
0.7593 Intermediate Similarity NPD7914 Suspended
0.7527 Intermediate Similarity NPD9559 Phase 1
0.7527 Intermediate Similarity NPD9529 Phase 1
0.7475 Intermediate Similarity NPD501 Phase 1
0.7447 Intermediate Similarity NPD238 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD239 Phase 2
0.7429 Intermediate Similarity NPD6946 Approved
0.7423 Intermediate Similarity NPD841 Approved
0.7396 Intermediate Similarity NPD9604 Approved
0.7396 Intermediate Similarity NPD9603 Phase 3
0.7396 Intermediate Similarity NPD9602 Phase 3
0.7327 Intermediate Similarity NPD762 Discontinued
0.7273 Intermediate Similarity NPD251 Approved
0.7238 Intermediate Similarity NPD1061 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD6943 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD9585 Discontinued
0.7083 Intermediate Similarity NPD9601 Approved
0.7041 Intermediate Similarity NPD1760 Approved
0.6957 Remote Similarity NPD7756 Clinical (unspecified phase)
0.6952 Remote Similarity NPD223 Clinical (unspecified phase)
0.6881 Remote Similarity NPD1385 Discontinued
0.6827 Remote Similarity NPD514 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7651 Approved
0.68 Remote Similarity NPD301 Discontinued
0.68 Remote Similarity NPD9553 Approved
0.68 Remote Similarity NPD9554 Approved
0.6797 Remote Similarity NPD7761 Suspended
0.6771 Remote Similarity NPD9600 Approved
0.6699 Remote Similarity NPD279 Clinical (unspecified phase)
0.6667 Remote Similarity NPD267 Discontinued
0.6633 Remote Similarity NPD9572 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7992 Clinical (unspecified phase)
0.6542 Remote Similarity NPD192 Phase 2
0.6531 Remote Similarity NPD9573 Phase 2
0.6505 Remote Similarity NPD500 Discontinued
0.6476 Remote Similarity NPD215 Discontinued
0.6383 Remote Similarity NPD9653 Clinical (unspecified phase)
0.6337 Remote Similarity NPD9555 Phase 2
0.6327 Remote Similarity NPD9429 Discontinued
0.6292 Remote Similarity NPD9503 Approved
0.6292 Remote Similarity NPD9504 Approved
0.6262 Remote Similarity NPD6948 Phase 3
0.625 Remote Similarity NPD9407 Approved
0.625 Remote Similarity NPD2633 Phase 1
0.625 Remote Similarity NPD4743 Phase 2
0.625 Remote Similarity NPD1331 Approved
0.6224 Remote Similarity NPD9427 Approved
0.6207 Remote Similarity NPD1805 Phase 2
0.6207 Remote Similarity NPD1804 Phase 2
0.614 Remote Similarity NPD1428 Phase 2
0.6121 Remote Similarity NPD284 Phase 1
0.604 Remote Similarity NPD2691 Clinical (unspecified phase)
0.6034 Remote Similarity NPD6693 Phase 3
0.5946 Remote Similarity NPD3121 Phase 2
0.5938 Remote Similarity NPD9405 Approved
0.5922 Remote Similarity NPD205 Approved
0.5902 Remote Similarity NPD6935 Phase 3
0.5902 Remote Similarity NPD6936 Clinical (unspecified phase)
0.59 Remote Similarity NPD9403 Discontinued
0.5893 Remote Similarity NPD765 Discontinued
0.5833 Remote Similarity NPD285 Discontinued
0.5739 Remote Similarity NPD244 Clinical (unspecified phase)
0.5727 Remote Similarity NPD1706 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6031
ChEMBL   CHEMBL130266
ZINC  

Physicochemical Properties

Molecular Weight:  404.00
ALogP:  -2.7621
MLogP:  0.69
XLogP:  -4.669
# Rotatable Bonds:  12
Polar Surface Area:  235.5
# H-Bond Aceptor:  14
# H-Bond Donor:  6
# Rings:  2
# Heavy Atoms:  25

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