Natural Product: NPC329077

Natural Product ID:  NPC329077
Common Name:   Dihydrouridine
IUPAC Name:   1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
Synonyms:  
Molecular Formula:   C9H14N2O6
Standard InCHIKey:  ZPTBLXKRQACLCR-XVFCMESISA-N
Standard InCHI:  InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)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 urine PMID[9129323]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2871 Individual Protein Cytidine deaminase Homo sapiens Ki = 40000 nM 24520856

  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 NPC329077 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
0.9054 High Similarity NPC325902
0.8395 Intermediate Similarity NPC43246
0.8395 Intermediate Similarity NPC89051
0.8293 Intermediate Similarity NPC163352
0.8293 Intermediate Similarity NPC210456
0.8272 Intermediate Similarity NPC325723
0.8125 Intermediate Similarity NPC319753
0.8095 Intermediate Similarity NPC315063
0.8026 Intermediate Similarity NPC315806
0.8025 Intermediate Similarity NPC106780
0.7927 Intermediate Similarity NPC71339
0.7927 Intermediate Similarity NPC112842
0.7727 Intermediate Similarity NPC17892
0.7727 Intermediate Similarity NPC36985
0.764 Intermediate Similarity NPC283698
0.764 Intermediate Similarity NPC73765
0.7471 Intermediate Similarity NPC171116
0.7444 Intermediate Similarity NPC317639
0.7386 Intermediate Similarity NPC324390
0.7303 Intermediate Similarity NPC327344
0.7303 Intermediate Similarity NPC322594
0.7303 Intermediate Similarity NPC320249
0.7273 Intermediate Similarity NPC109188
0.716 Intermediate Similarity NPC470782
0.7143 Intermediate Similarity NPC318166
0.7143 Intermediate Similarity NPC324516
0.7125 Intermediate Similarity NPC126186
0.7045 Intermediate Similarity NPC190334
0.7045 Intermediate Similarity NPC62927
0.6966 Remote Similarity NPC328806
0.6869 Remote Similarity NPC329277
0.6796 Remote Similarity NPC478024
0.6733 Remote Similarity NPC155087
0.6733 Remote Similarity NPC149843
0.6705 Remote Similarity NPC229249
0.6667 Remote Similarity NPC470781
0.6552 Remote Similarity NPC470783
0.6526 Remote Similarity NPC6166
0.6526 Remote Similarity NPC226769
0.6526 Remote Similarity NPC280946
0.6486 Remote Similarity NPC293551
0.6458 Remote Similarity NPC120887
0.6458 Remote Similarity NPC90240
0.6438 Remote Similarity NPC275727
0.6392 Remote Similarity NPC328779
0.6338 Remote Similarity NPC224624
0.6322 Remote Similarity NPC312315
0.6296 Remote Similarity NPC34291
0.6296 Remote Similarity NPC126664
0.6296 Remote Similarity NPC316445
0.6282 Remote Similarity NPC243964
0.6263 Remote Similarity NPC328914
0.625 Remote Similarity NPC128005
0.625 Remote Similarity NPC84182
0.6125 Remote Similarity NPC233034
0.6082 Remote Similarity NPC329384
0.6061 Remote Similarity NPC313821
0.6019 Remote Similarity NPC314413
0.6019 Remote Similarity NPC314398
0.6019 Remote Similarity NPC239705
0.6 Remote Similarity NPC475542
0.5962 Remote Similarity NPC322449
0.5962 Remote Similarity NPC92874
0.5962 Remote Similarity NPC166242
0.5962 Remote Similarity NPC189854
0.5962 Remote Similarity NPC62845
0.5952 Remote Similarity NPC223174
0.5952 Remote Similarity NPC327753
0.5952 Remote Similarity NPC327486
0.5948 Remote Similarity NPC315058
0.5913 Remote Similarity NPC325750
0.5905 Remote Similarity NPC10897
0.5905 Remote Similarity NPC325900
0.5904 Remote Similarity NPC171850
0.5904 Remote Similarity NPC474469
0.5897 Remote Similarity NPC170172
0.5882 Remote Similarity NPC196007
0.5882 Remote Similarity NPC76297
0.5882 Remote Similarity NPC214532
0.5862 Remote Similarity NPC284651
0.5854 Remote Similarity NPC12514
0.5854 Remote Similarity NPC294883
0.5833 Remote Similarity NPC475715
0.5833 Remote Similarity NPC475127
0.5833 Remote Similarity NPC275715
0.5833 Remote Similarity NPC473419
0.5802 Remote Similarity NPC163134
0.5802 Remote Similarity NPC471419
0.5798 Remote Similarity NPC313962
0.5783 Remote Similarity NPC184150
0.5783 Remote Similarity NPC141156
0.5765 Remote Similarity NPC115800
0.5765 Remote Similarity NPC163538
0.5747 Remote Similarity NPC266888
0.5747 Remote Similarity NPC161774
0.5747 Remote Similarity NPC256312
0.5747 Remote Similarity NPC209156
0.5714 Remote Similarity NPC254617
0.5714 Remote Similarity NPC74555
0.5714 Remote Similarity NPC266242
0.5714 Remote Similarity NPC306763
0.5684 Remote Similarity NPC469363
0.5667 Remote Similarity NPC314772
0.5667 Remote Similarity NPC314968
0.5652 Remote Similarity NPC476302
0.5641 Remote Similarity NPC311668
0.5641 Remote Similarity NPC65832
0.5641 Remote Similarity NPC10262
0.5631 Remote Similarity NPC475440
0.5619 Remote Similarity NPC314387
0.5612 Remote Similarity NPC475801
0.5612 Remote Similarity NPC474593
0.5604 Remote Similarity NPC316807
0.5604 Remote Similarity NPC31756

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329077 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
0.8395 Intermediate Similarity NPD9580 Clinical (unspecified phase)
0.8395 Intermediate Similarity NPD9581 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD755 Phase 3
0.8026 Intermediate Similarity NPD9653 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD9556 Approved
0.7927 Intermediate Similarity NPD280 Approved
0.7901 Intermediate Similarity NPD9560 Approved
0.7901 Intermediate Similarity NPD9561 Approved
0.7831 Intermediate Similarity NPD9557 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD9546 Phase 2
0.7805 Intermediate Similarity NPD9559 Phase 1
0.7778 Intermediate Similarity NPD9558 Phase 3
0.7738 Intermediate Similarity NPD240 Phase 3
0.7738 Intermediate Similarity NPD170 Approved
0.7711 Intermediate Similarity NPD9533 Phase 2
0.7654 Intermediate Similarity NPD9429 Discontinued
0.7647 Intermediate Similarity NPD241 Discontinued
0.764 Intermediate Similarity NPD9639 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD9407 Approved
0.7529 Intermediate Similarity NPD9562 Discovery
0.75 Intermediate Similarity NPD238 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD239 Phase 2
0.7473 Intermediate Similarity NPD502 Approved
0.7471 Intermediate Similarity NPD841 Approved
0.747 Intermediate Similarity NPD2691 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD9565 Discontinued
0.7381 Intermediate Similarity NPD9529 Phase 1
0.7303 Intermediate Similarity NPD251 Approved
0.7273 Intermediate Similarity NPD1331 Approved
0.7241 Intermediate Similarity NPD1760 Approved
0.7222 Intermediate Similarity NPD1686 Approved
0.7215 Intermediate Similarity NPD9405 Approved
0.7143 Intermediate Similarity NPD501 Phase 1
0.7128 Intermediate Similarity NPD223 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1061 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD9603 Phase 3
0.7045 Intermediate Similarity NPD9602 Phase 3
0.7045 Intermediate Similarity NPD9604 Approved
0.6989 Remote Similarity NPD762 Discontinued
0.6939 Remote Similarity NPD3128 Phase 3
0.6869 Remote Similarity NPD3129 Phase 3
0.6739 Remote Similarity NPD9585 Discontinued
0.6739 Remote Similarity NPD6943 Clinical (unspecified phase)
0.6705 Remote Similarity NPD9601 Approved
0.67 Remote Similarity NPD1385 Discontinued
0.6667 Remote Similarity NPD9573 Phase 2
0.6667 Remote Similarity NPD5789 Clinical (unspecified phase)
0.6667 Remote Similarity NPD279 Clinical (unspecified phase)
0.6465 Remote Similarity NPD7651 Approved
0.6458 Remote Similarity NPD514 Clinical (unspecified phase)
0.6444 Remote Similarity NPD9555 Phase 2
0.6413 Remote Similarity NPD9553 Approved
0.6413 Remote Similarity NPD301 Discontinued
0.6413 Remote Similarity NPD9554 Approved
0.641 Remote Similarity NPD9211 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9600 Approved
0.6355 Remote Similarity NPD3138 Phase 3
0.6321 Remote Similarity NPD7914 Suspended
0.6296 Remote Similarity NPD3139 Phase 3
0.6296 Remote Similarity NPD9443 Clinical (unspecified phase)
0.6277 Remote Similarity NPD267 Discontinued
0.6264 Remote Similarity NPD9401 Discovery
0.6263 Remote Similarity NPD1455 Phase 3
0.6263 Remote Similarity NPD1454 Phase 3
0.6222 Remote Similarity NPD9572 Clinical (unspecified phase)
0.6125 Remote Similarity NPD9440 Discontinued
0.6105 Remote Similarity NPD500 Discontinued
0.6082 Remote Similarity NPD215 Discontinued
0.6061 Remote Similarity NPD3191 Approved
0.6061 Remote Similarity NPD3190 Approved
0.6061 Remote Similarity NPD3189 Approved
0.6044 Remote Similarity NPD883 Phase 2
0.6044 Remote Similarity NPD882 Phase 2
0.6042 Remote Similarity NPD285 Discontinued
0.6026 Remote Similarity NPD9455 Approved
0.6 Remote Similarity NPD9504 Approved
0.6 Remote Similarity NPD9503 Approved
0.5962 Remote Similarity NPD6946 Approved
0.5952 Remote Similarity NPD9445 Approved
0.5949 Remote Similarity NPD393 Approved
0.5909 Remote Similarity NPD372 Clinical (unspecified phase)
0.5904 Remote Similarity NPD9444 Discontinued
0.5865 Remote Similarity NPD2633 Phase 1
0.5842 Remote Similarity NPD192 Phase 2
0.5833 Remote Similarity NPD1805 Phase 2
0.5833 Remote Similarity NPD1804 Phase 2
0.5755 Remote Similarity NPD1428 Phase 2
0.5729 Remote Similarity NPD3177 Phase 3
0.5714 Remote Similarity NPD4743 Phase 2
0.5667 Remote Similarity NPD9434 Approved
0.5667 Remote Similarity NPD9435 Approved
0.5648 Remote Similarity NPD6693 Phase 3
0.5625 Remote Similarity NPD9239 Approved
0.5625 Remote Similarity NPD9240 Approved
0.5619 Remote Similarity NPD3185 Approved
0.5619 Remote Similarity NPD3183 Approved
0.5619 Remote Similarity NPD3184 Approved
0.5619 Remote Similarity NPD3182 Approved
0.56 Remote Similarity NPD1706 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   94312
ChEMBL   CHEMBL3237555
ZINC  

Physicochemical Properties

Molecular Weight:  246.09
ALogP:  -2.3402
MLogP:  1.57
XLogP:  -2.067
# Rotatable Bonds:  6
Polar Surface Area:  122.82
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  17

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Similar NPs/Drugs