Natural Product: NPC325902

Natural Product ID:  NPC325902
Common Name:   1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-5-Methyl-1,3-Diazinane-2,4-Dione
IUPAC Name:   1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Synonyms:  
Molecular Formula:   C10H16N2O5
Standard InCHIKey:  FEYHMSUYKIMUAL-UNYLCCJPSA-N
Standard InCHI:  InChI=1S/C10H16N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h5-8,13-14H,2-4H2,1H3,(H,11,15,16)/t5?,6-,7+,8+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@H](C[C@@H]1O)N1CC(C)C(=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
NPO30193 Mycoplasma genitalium Species Mycoplasmataceae Bacteria PMID[22817898]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2868 Individual Protein Thymidine kinase 2 Rattus norvegicus Inhibition = 83 % 7097717
NPT2869 Individual Protein Thymidine kinase Rattus norvegicus Inhibition = 53 % 7097717
NPT2868 Individual Protein Thymidine kinase 2 Rattus norvegicus Ki = 77000 nM 7097717

  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 NPC325902 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
0.9103 High Similarity NPC325723
0.9054 High Similarity NPC329077
0.8272 Intermediate Similarity NPC71339
0.8272 Intermediate Similarity NPC112842
0.825 Intermediate Similarity NPC319753
0.8 Intermediate Similarity NPC171116
0.7976 Intermediate Similarity NPC163352
0.7976 Intermediate Similarity NPC210456
0.7927 Intermediate Similarity NPC106780
0.7647 Intermediate Similarity NPC43246
0.7647 Intermediate Similarity NPC89051
0.764 Intermediate Similarity NPC318166
0.764 Intermediate Similarity NPC324516
0.7614 Intermediate Similarity NPC327344
0.7468 Intermediate Similarity NPC315806
0.7386 Intermediate Similarity NPC315063
0.7303 Intermediate Similarity NPC324390
0.7222 Intermediate Similarity NPC322594
0.7222 Intermediate Similarity NPC320249
0.7065 Intermediate Similarity NPC17892
0.7065 Intermediate Similarity NPC36985
0.7 Intermediate Similarity NPC109188
0.6989 Remote Similarity NPC73765
0.6989 Remote Similarity NPC283698
0.6809 Remote Similarity NPC317639
0.6731 Remote Similarity NPC478024
0.6703 Remote Similarity NPC328806
0.6667 Remote Similarity NPC470783
0.6629 Remote Similarity NPC229249
0.6628 Remote Similarity NPC312315
0.6627 Remote Similarity NPC126186
0.6471 Remote Similarity NPC470782
0.6471 Remote Similarity NPC329277
0.6413 Remote Similarity NPC62927
0.6413 Remote Similarity NPC190334
0.64 Remote Similarity NPC293551
0.6346 Remote Similarity NPC149843
0.6346 Remote Similarity NPC155087
0.625 Remote Similarity NPC224624
0.619 Remote Similarity NPC196007
0.619 Remote Similarity NPC214532
0.619 Remote Similarity NPC470781
0.619 Remote Similarity NPC76297
0.6186 Remote Similarity NPC329384
0.6162 Remote Similarity NPC313821
0.6047 Remote Similarity NPC256312
0.6047 Remote Similarity NPC209156
0.6047 Remote Similarity NPC161774
0.6047 Remote Similarity NPC266888
0.604 Remote Similarity NPC328914
0.6 Remote Similarity NPC328779
0.5976 Remote Similarity NPC84182
0.5976 Remote Similarity NPC128005
0.596 Remote Similarity NPC6166
0.596 Remote Similarity NPC226769
0.596 Remote Similarity NPC280946
0.5934 Remote Similarity NPC476302
0.59 Remote Similarity NPC90240
0.59 Remote Similarity NPC120887
0.5889 Remote Similarity NPC31756
0.5876 Remote Similarity NPC474593
0.5876 Remote Similarity NPC475801
0.5833 Remote Similarity NPC316445
0.5824 Remote Similarity NPC476117
0.5824 Remote Similarity NPC476243
0.5824 Remote Similarity NPC476156
0.5824 Remote Similarity NPC476137
0.5816 Remote Similarity NPC474576
0.5802 Remote Similarity NPC243964
0.5763 Remote Similarity NPC315058
0.5761 Remote Similarity NPC475542
0.5758 Remote Similarity NPC471098
0.5758 Remote Similarity NPC62263
0.5758 Remote Similarity NPC173763
0.5755 Remote Similarity NPC62845
0.5755 Remote Similarity NPC166242
0.5755 Remote Similarity NPC189854
0.5755 Remote Similarity NPC92874
0.5755 Remote Similarity NPC322449
0.5728 Remote Similarity NPC475440
0.5726 Remote Similarity NPC325750
0.5714 Remote Similarity NPC275727
0.5714 Remote Similarity NPC314387
0.5701 Remote Similarity NPC325900
0.5701 Remote Similarity NPC10897
0.5698 Remote Similarity NPC223174
0.5698 Remote Similarity NPC327753
0.5698 Remote Similarity NPC327486
0.5663 Remote Similarity NPC41429
0.566 Remote Similarity NPC239705
0.566 Remote Similarity NPC314398
0.566 Remote Similarity NPC314413
0.5658 Remote Similarity NPC137327
0.5647 Remote Similarity NPC34291
0.5647 Remote Similarity NPC126664
0.5625 Remote Similarity NPC471202
0.5625 Remote Similarity NPC63191
0.562 Remote Similarity NPC313962
0.5612 Remote Similarity NPC275715

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC325902 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
0.8272 Intermediate Similarity NPD280 Approved
0.8214 Intermediate Similarity NPD841 Approved
0.8072 Intermediate Similarity NPD240 Phase 3
0.7901 Intermediate Similarity NPD9556 Approved
0.7857 Intermediate Similarity NPD170 Approved
0.7831 Intermediate Similarity NPD239 Phase 2
0.7831 Intermediate Similarity NPD238 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD2691 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD9561 Approved
0.7805 Intermediate Similarity NPD9560 Approved
0.7791 Intermediate Similarity NPD755 Phase 3
0.7738 Intermediate Similarity NPD9557 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD9546 Phase 2
0.7711 Intermediate Similarity NPD9559 Phase 1
0.7647 Intermediate Similarity NPD9581 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD9580 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD9533 Phase 2
0.7473 Intermediate Similarity NPD762 Discontinued
0.747 Intermediate Similarity NPD9558 Phase 3
0.7468 Intermediate Similarity NPD9653 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD9562 Discovery
0.7416 Intermediate Similarity NPD251 Approved
0.7294 Intermediate Similarity NPD9529 Phase 1
0.7253 Intermediate Similarity NPD501 Phase 1
0.7159 Intermediate Similarity NPD1760 Approved
0.7125 Intermediate Similarity NPD9405 Approved
0.7111 Intermediate Similarity NPD9565 Discontinued
0.7021 Intermediate Similarity NPD502 Approved
0.7 Intermediate Similarity NPD1331 Approved
0.6989 Remote Similarity NPD9639 Clinical (unspecified phase)
0.6966 Remote Similarity NPD241 Discontinued
0.6957 Remote Similarity NPD1686 Approved
0.6947 Remote Similarity NPD5789 Clinical (unspecified phase)
0.6941 Remote Similarity NPD9429 Discontinued
0.6867 Remote Similarity NPD9407 Approved
0.68 Remote Similarity NPD1385 Discontinued
0.6667 Remote Similarity NPD1061 Clinical (unspecified phase)
0.6629 Remote Similarity NPD9601 Approved
0.6591 Remote Similarity NPD9573 Phase 2
0.6559 Remote Similarity NPD267 Discontinued
0.6535 Remote Similarity NPD3128 Phase 3
0.6531 Remote Similarity NPD223 Clinical (unspecified phase)
0.6522 Remote Similarity NPD301 Discontinued
0.6489 Remote Similarity NPD6943 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3129 Phase 3
0.6436 Remote Similarity NPD2633 Phase 1
0.6413 Remote Similarity NPD9604 Approved
0.6413 Remote Similarity NPD9602 Phase 3
0.6413 Remote Similarity NPD9603 Phase 3
0.6374 Remote Similarity NPD9555 Phase 2
0.6354 Remote Similarity NPD215 Discontinued
0.6344 Remote Similarity NPD9553 Approved
0.6344 Remote Similarity NPD9554 Approved
0.6292 Remote Similarity NPD9600 Approved
0.6238 Remote Similarity NPD7651 Approved
0.6211 Remote Similarity NPD500 Discontinued
0.619 Remote Similarity NPD6693 Phase 3
0.6162 Remote Similarity NPD3191 Approved
0.6162 Remote Similarity NPD3189 Approved
0.6162 Remote Similarity NPD3190 Approved
0.6154 Remote Similarity NPD9572 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1428 Phase 2
0.6146 Remote Similarity NPD9585 Discontinued
0.6146 Remote Similarity NPD285 Discontinued
0.6125 Remote Similarity NPD9211 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7914 Suspended
0.61 Remote Similarity NPD3121 Phase 2
0.6082 Remote Similarity NPD279 Clinical (unspecified phase)
0.6061 Remote Similarity NPD514 Clinical (unspecified phase)
0.604 Remote Similarity NPD1454 Phase 3
0.604 Remote Similarity NPD1455 Phase 3
0.6 Remote Similarity NPD3138 Phase 3
0.5946 Remote Similarity NPD3139 Phase 3
0.5941 Remote Similarity NPD192 Phase 2
0.5926 Remote Similarity NPD9504 Approved
0.5926 Remote Similarity NPD1804 Phase 2
0.5926 Remote Similarity NPD1805 Phase 2
0.5926 Remote Similarity NPD9503 Approved
0.581 Remote Similarity NPD4743 Phase 2
0.5806 Remote Similarity NPD883 Phase 2
0.5806 Remote Similarity NPD882 Phase 2
0.5755 Remote Similarity NPD6946 Approved
0.5752 Remote Similarity NPD7992 Clinical (unspecified phase)
0.5745 Remote Similarity NPD205 Approved
0.5743 Remote Similarity NPD7841 Clinical (unspecified phase)
0.5728 Remote Similarity NPD765 Discontinued
0.5714 Remote Similarity NPD3184 Approved
0.5714 Remote Similarity NPD3183 Approved
0.5714 Remote Similarity NPD3182 Approved
0.5714 Remote Similarity NPD3185 Approved
0.57 Remote Similarity NPD1706 Clinical (unspecified phase)
0.5699 Remote Similarity NPD2683 Discontinued
0.5698 Remote Similarity NPD9445 Approved
0.5684 Remote Similarity NPD9401 Discovery
0.5679 Remote Similarity NPD393 Approved
0.567 Remote Similarity NPD3177 Phase 3
0.566 Remote Similarity NPD6122 Discontinued
0.5647 Remote Similarity NPD9443 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   165328
ChEMBL   CHEMBL3143492
ZINC  

Physicochemical Properties

Molecular Weight:  244.11
ALogP:  -1.8575
MLogP:  1.79
XLogP:  -1.173
# Rotatable Bonds:  6
Polar Surface Area:  102.59
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  17

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Similar NPs/Drugs