Natural Product: NPC190334

Natural Product ID:  NPC190334
Common Name:   4-Amino-1-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Pyrimidin-2-One
IUPAC Name:   4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Synonyms:  
Molecular Formula:   C9H13N3O5
Standard InCHIKey:  UHDGCWIWMRVCDJ-MLQRGLMKSA-N
Standard InCHI:  InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7+,8+/m0/s1
Canonical SMILES:  OC[C@@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=N)nc1O
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
NPO17922 Fritiliariae irrhosae bulbus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 1000 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 5011.9 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 794.3 nM PubChem BioAssay data set
NPT96 Individual Protein Thrombopoietin Homo sapiens Potency = 1000 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens AC50 = 31622.78 nM PubChem BioAssay data set

  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 NPC190334 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 NPC62927
0.9625 High Similarity NPC229249
0.9195 High Similarity NPC280946
0.9195 High Similarity NPC226769
0.9195 High Similarity NPC6166
0.9091 High Similarity NPC90240
0.9091 High Similarity NPC120887
0.8989 High Similarity NPC328779
0.8941 High Similarity NPC328806
0.8791 High Similarity NPC328914
0.8652 High Similarity NPC329384
0.8068 Intermediate Similarity NPC43246
0.8068 Intermediate Similarity NPC89051
0.7802 Intermediate Similarity NPC315063
0.7727 Intermediate Similarity NPC106780
0.7711 Intermediate Similarity NPC315806
0.7474 Intermediate Similarity NPC36985
0.7474 Intermediate Similarity NPC17892
0.7396 Intermediate Similarity NPC283698
0.7396 Intermediate Similarity NPC73765
0.7222 Intermediate Similarity NPC313813
0.7204 Intermediate Similarity NPC163352
0.7204 Intermediate Similarity NPC210456
0.7158 Intermediate Similarity NPC324390
0.7083 Intermediate Similarity NPC320249
0.7083 Intermediate Similarity NPC322594
0.7045 Intermediate Similarity NPC329077
0.6932 Remote Similarity NPC469972
0.6882 Remote Similarity NPC71339
0.6882 Remote Similarity NPC112842
0.67 Remote Similarity NPC317639
0.6698 Remote Similarity NPC329277
0.6574 Remote Similarity NPC149843
0.6574 Remote Similarity NPC155087
0.6557 Remote Similarity NPC318142
0.6531 Remote Similarity NPC171116
0.6413 Remote Similarity NPC325902
0.64 Remote Similarity NPC327344
0.6275 Remote Similarity NPC318166
0.6275 Remote Similarity NPC324516
0.605 Remote Similarity NPC245534
0.5984 Remote Similarity NPC315058
0.5979 Remote Similarity NPC319753
0.596 Remote Similarity NPC325723
0.5909 Remote Similarity NPC314398
0.5909 Remote Similarity NPC239705
0.5909 Remote Similarity NPC314413
0.5856 Remote Similarity NPC322449
0.5856 Remote Similarity NPC62845
0.5856 Remote Similarity NPC166242
0.5856 Remote Similarity NPC189854
0.5856 Remote Similarity NPC92874
0.584 Remote Similarity NPC313962
0.5804 Remote Similarity NPC10897
0.5804 Remote Similarity NPC325900
0.5778 Remote Similarity NPC316445
0.5772 Remote Similarity NPC284651
0.5714 Remote Similarity NPC293551
0.5692 Remote Similarity NPC320818
0.566 Remote Similarity NPC216278
0.5659 Remote Similarity NPC319221
0.5657 Remote Similarity NPC242077
0.5641 Remote Similarity NPC478024

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC190334 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 NPD9602 Phase 3
1.0 High Similarity NPD9604 Approved
1.0 High Similarity NPD9603 Phase 3
0.9625 High Similarity NPD9601 Approved
0.9524 High Similarity NPD9585 Discontinued
0.925 High Similarity NPD9600 Approved
0.9167 High Similarity NPD9553 Approved
0.9167 High Similarity NPD301 Discontinued
0.9167 High Similarity NPD9554 Approved
0.9091 High Similarity NPD514 Clinical (unspecified phase)
0.9024 High Similarity NPD9572 Clinical (unspecified phase)
0.8953 High Similarity NPD267 Discontinued
0.8902 High Similarity NPD9573 Phase 2
0.8851 High Similarity NPD6943 Clinical (unspecified phase)
0.8791 High Similarity NPD1454 Phase 3
0.8791 High Similarity NPD1455 Phase 3
0.8652 High Similarity NPD215 Discontinued
0.8588 High Similarity NPD9555 Phase 2
0.8333 Intermediate Similarity NPD6946 Approved
0.828 Intermediate Similarity NPD192 Phase 2
0.8171 Intermediate Similarity NPD9407 Approved
0.8068 Intermediate Similarity NPD9580 Clinical (unspecified phase)
0.8068 Intermediate Similarity NPD9581 Clinical (unspecified phase)
0.8021 Intermediate Similarity NPD7651 Approved
0.7921 Intermediate Similarity NPD1805 Phase 2
0.7921 Intermediate Similarity NPD1804 Phase 2
0.7879 Intermediate Similarity NPD1428 Phase 2
0.7857 Intermediate Similarity NPD4743 Phase 2
0.7826 Intermediate Similarity NPD285 Discontinued
0.7805 Intermediate Similarity NPD9405 Approved
0.7791 Intermediate Similarity NPD9429 Discontinued
0.7711 Intermediate Similarity NPD9653 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD3121 Phase 2
0.7619 Intermediate Similarity NPD3138 Phase 3
0.7556 Intermediate Similarity NPD9557 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD3139 Phase 3
0.75 Intermediate Similarity NPD762 Discontinued
0.7477 Intermediate Similarity NPD6935 Phase 3
0.7477 Intermediate Similarity NPD6936 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD1706 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD9427 Approved
0.74 Intermediate Similarity NPD1061 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD9639 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD9372 Phase 2
0.7327 Intermediate Similarity NPD2633 Phase 1
0.7228 Intermediate Similarity NPD244 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD6948 Phase 3
0.7204 Intermediate Similarity NPD1760 Approved
0.7158 Intermediate Similarity NPD9565 Discontinued
0.7111 Intermediate Similarity NPD9556 Approved
0.7053 Intermediate Similarity NPD755 Phase 3
0.7048 Intermediate Similarity NPD6693 Phase 3
0.7033 Intermediate Similarity NPD9560 Approved
0.7033 Intermediate Similarity NPD9561 Approved
0.701 Intermediate Similarity NPD279 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD1686 Approved
0.697 Remote Similarity NPD2621 Clinical (unspecified phase)
0.6957 Remote Similarity NPD9546 Phase 2
0.6957 Remote Similarity NPD9559 Phase 1
0.6937 Remote Similarity NPD6918 Phase 1
0.6932 Remote Similarity NPD9370 Approved
0.6931 Remote Similarity NPD223 Clinical (unspecified phase)
0.6923 Remote Similarity NPD9558 Phase 3
0.69 Remote Similarity NPD502 Approved
0.6889 Remote Similarity NPD9369 Clinical (unspecified phase)
0.6889 Remote Similarity NPD9403 Discontinued
0.6882 Remote Similarity NPD280 Approved
0.6882 Remote Similarity NPD9533 Phase 2
0.6848 Remote Similarity NPD2691 Clinical (unspecified phase)
0.6842 Remote Similarity NPD241 Discontinued
0.6762 Remote Similarity NPD3128 Phase 3
0.6737 Remote Similarity NPD9562 Discovery
0.6737 Remote Similarity NPD170 Approved
0.6737 Remote Similarity NPD240 Phase 3
0.6698 Remote Similarity NPD3129 Phase 3
0.6667 Remote Similarity NPD3161 Clinical (unspecified phase)
0.66 Remote Similarity NPD501 Phase 1
0.6596 Remote Similarity NPD9529 Phase 1
0.6531 Remote Similarity NPD841 Approved
0.6526 Remote Similarity NPD238 Clinical (unspecified phase)
0.6526 Remote Similarity NPD239 Phase 2
0.6489 Remote Similarity NPD9534 Phase 2
0.6489 Remote Similarity NPD9535 Phase 2
0.64 Remote Similarity NPD251 Approved
0.6389 Remote Similarity NPD1385 Discontinued
0.6333 Remote Similarity NPD9347 Approved
0.6333 Remote Similarity NPD9346 Approved
0.6235 Remote Similarity NPD9211 Clinical (unspecified phase)
0.6122 Remote Similarity NPD9654 Phase 2
0.6038 Remote Similarity NPD5789 Clinical (unspecified phase)
0.5776 Remote Similarity NPD7914 Suspended
0.5755 Remote Similarity NPD536 Clinical (unspecified phase)
0.5755 Remote Similarity NPD6424 Approved
0.5702 Remote Similarity NPD9416 Phase 3
0.5702 Remote Similarity NPD9417 Phase 3
0.5673 Remote Similarity NPD500 Discontinued
0.566 Remote Similarity NPD6427 Approved
0.566 Remote Similarity NPD6423 Approved
0.566 Remote Similarity NPD6425 Approved
0.566 Remote Similarity NPD6426 Approved
0.5657 Remote Similarity NPD9644 Approved
0.5657 Remote Similarity NPD9645 Approved
0.5657 Remote Similarity NPD9646 Approved
0.5652 Remote Similarity NPD284 Phase 1

Structure

External Identifiers

PubChem CID   6603781
ChEMBL   CHEMBL1315342
ZINC  

Physicochemical Properties

Molecular Weight:  243.09
ALogP:  -2.3883
MLogP:  1.57
XLogP:  -0.606
# Rotatable Bonds:  6
Polar Surface Area:  129.6
# H-Bond Aceptor:  8
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  17

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Similar NPs/Drugs