Natural Product: NPC329358

Natural Product ID:  NPC329358
Common Name:   P-Nitrophenylphosphate
IUPAC Name:  
Synonyms:   4-Nitrophenyl Dihydrogen Phosphate; 4-Nitrophenyl Phosphate; P-Nitrophenylphosphate
Molecular Formula:   C6H6NO6P
Standard InCHIKey:  XZKIHKMTEMTJQX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
Canonical SMILES:  O=N(=O)c1ccc(cc1)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
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1652 Individual Protein Serum paraoxonase/arylesterase 1 Homo sapiens IC50 = 18500000 nM 12729627
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 1000000 nM 11965374
NPT287 Individual Protein Leukocyte common antigen Homo sapiens Ratio = 0.000142 M-1 s-1 10.1016/0960-894X(95)00034-Q
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens IC50 = 330 nM 20833546
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens IC50 = 63 nM 20833546
NPT1061 Individual Protein Carbonic anhydrase XIII Mus musculus IC50 = 1050 nM 20833546

  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 NPC329358 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
0.9439 High Similarity NPC329190
0.9167 High Similarity NPC322735
0.8962 High Similarity NPC44836
0.8205 Intermediate Similarity NPC321869
0.789 Intermediate Similarity NPC70201
0.7632 Intermediate Similarity NPC76327
0.7281 Intermediate Similarity NPC311660
0.725 Intermediate Similarity NPC264782
0.7217 Intermediate Similarity NPC256838
0.7143 Intermediate Similarity NPC317872
0.7059 Intermediate Similarity NPC322285
0.7059 Intermediate Similarity NPC255721
0.7 Intermediate Similarity NPC9336
0.6992 Remote Similarity NPC222982
0.6721 Remote Similarity NPC226914
0.6331 Remote Similarity NPC91615
0.6311 Remote Similarity NPC215445
0.6296 Remote Similarity NPC314278
0.6269 Remote Similarity NPC315632
0.6154 Remote Similarity NPC476483
0.6133 Remote Similarity NPC40209
0.6084 Remote Similarity NPC316574
0.6071 Remote Similarity NPC313466
0.6038 Remote Similarity NPC100980
0.6016 Remote Similarity NPC280382
0.6014 Remote Similarity NPC159589
0.6014 Remote Similarity NPC122542
0.6 Remote Similarity NPC204156
0.6 Remote Similarity NPC473987
0.5986 Remote Similarity NPC168750
0.5984 Remote Similarity NPC29601
0.5972 Remote Similarity NPC159722
0.5963 Remote Similarity NPC65517
0.5952 Remote Similarity NPC37584
0.5946 Remote Similarity NPC307456
0.5946 Remote Similarity NPC260601
0.5946 Remote Similarity NPC323798
0.5931 Remote Similarity NPC469828
0.5918 Remote Similarity NPC476462
0.5905 Remote Similarity NPC271732
0.5902 Remote Similarity NPC323726
0.589 Remote Similarity NPC47986
0.5874 Remote Similarity NPC297584
0.5867 Remote Similarity NPC473769
0.5862 Remote Similarity NPC126637
0.5862 Remote Similarity NPC166667
0.585 Remote Similarity NPC314113
0.5841 Remote Similarity NPC15839
0.5809 Remote Similarity NPC326079
0.5804 Remote Similarity NPC208022
0.5804 Remote Similarity NPC204932
0.5782 Remote Similarity NPC314252
0.5775 Remote Similarity NPC314473
0.5772 Remote Similarity NPC316435
0.5762 Remote Similarity NPC146370
0.576 Remote Similarity NPC178681
0.5752 Remote Similarity NPC270094
0.5741 Remote Similarity NPC66775
0.5736 Remote Similarity NPC172046
0.5714 Remote Similarity NPC471785
0.5705 Remote Similarity NPC470090
0.5704 Remote Similarity NPC229353
0.5688 Remote Similarity NPC301874
0.5676 Remote Similarity NPC181526
0.5669 Remote Similarity NPC313362
0.5664 Remote Similarity NPC4154
0.5655 Remote Similarity NPC288305
0.5645 Remote Similarity NPC125732
0.5635 Remote Similarity NPC178902
0.5608 Remote Similarity NPC476475
0.56 Remote Similarity NPC155847
0.56 Remote Similarity NPC289381
0.56 Remote Similarity NPC301702

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329358 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
0.9439 High Similarity NPD286 Approved
0.7632 Intermediate Similarity NPD9507 Approved
0.7288 Intermediate Similarity NPD9376 Approved
0.7016 Intermediate Similarity NPD254 Approved
0.7007 Intermediate Similarity NPD521 Clinical (unspecified phase)
0.6855 Remote Similarity NPD9342 Approved
0.6815 Remote Similarity NPD756 Suspended
0.6746 Remote Similarity NPD9247 Phase 3
0.6739 Remote Similarity NPD204 Clinical (unspecified phase)
0.6667 Remote Similarity NPD308 Approved
0.6515 Remote Similarity NPD1158 Phase 2
0.6493 Remote Similarity NPD9723 Approved
0.6484 Remote Similarity NPD313 Approved
0.6434 Remote Similarity NPD965 Approved
0.637 Remote Similarity NPD1160 Phase 2
0.6316 Remote Similarity NPD522 Approved
0.6301 Remote Similarity NPD1084 Clinical (unspecified phase)
0.6225 Remote Similarity NPD1557 Discontinued
0.6214 Remote Similarity NPD1393 Approved
0.6159 Remote Similarity NPD1162 Approved
0.6154 Remote Similarity NPD1394 Approved
0.6133 Remote Similarity NPD711 Discontinued
0.6115 Remote Similarity NPD1314 Clinical (unspecified phase)
0.6084 Remote Similarity NPD9279 Approved
0.6084 Remote Similarity NPD6636 Phase 3
0.6042 Remote Similarity NPD822 Approved
0.6038 Remote Similarity NPD9087 Approved
0.6014 Remote Similarity NPD471 Approved
0.6014 Remote Similarity NPD849 Approved
0.6014 Remote Similarity NPD848 Approved
0.6014 Remote Similarity NPD850 Approved
0.6 Remote Similarity NPD9070 Clinical (unspecified phase)
0.6 Remote Similarity NPD1422 Approved
0.6 Remote Similarity NPD3391 Approved
0.6 Remote Similarity NPD935 Clinical (unspecified phase)
0.5986 Remote Similarity NPD1195 Approved
0.5975 Remote Similarity NPD3511 Discontinued
0.5963 Remote Similarity NPD9088 Approved
0.5962 Remote Similarity NPD3241 Phase 2
0.5959 Remote Similarity NPD7083 Clinical (unspecified phase)
0.5957 Remote Similarity NPD9471 Clinical (unspecified phase)
0.5946 Remote Similarity NPD1196 Approved
0.5946 Remote Similarity NPD2241 Approved
0.5944 Remote Similarity NPD9694 Discovery
0.5912 Remote Similarity NPD2341 Discontinued
0.5854 Remote Similarity NPD3028 Approved
0.5849 Remote Similarity NPD3252 Approved
0.5828 Remote Similarity NPD2114 Discontinued
0.5828 Remote Similarity NPD1543 Discontinued
0.5822 Remote Similarity NPD5788 Clinical (unspecified phase)
0.5813 Remote Similarity NPD3251 Approved
0.5811 Remote Similarity NPD5719 Approved
0.5752 Remote Similarity NPD9089 Approved
0.5746 Remote Similarity NPD457 Approved
0.5682 Remote Similarity NPD456 Approved
0.5677 Remote Similarity NPD1678 Clinical (unspecified phase)
0.5671 Remote Similarity NPD1220 Phase 1
0.5664 Remote Similarity NPD9093 Approved
0.5647 Remote Similarity NPD6045 Phase 3
0.5644 Remote Similarity NPD1293 Approved
0.5638 Remote Similarity NPD9274 Approved
0.5638 Remote Similarity NPD9275 Approved
0.5638 Remote Similarity NPD7753 Approved
0.5638 Remote Similarity NPD9276 Approved
0.5638 Remote Similarity NPD9278 Suspended
0.5638 Remote Similarity NPD7752 Approved
0.5613 Remote Similarity NPD3627 Approved
0.5608 Remote Similarity NPD1169 Approved
0.5605 Remote Similarity NPD3296 Phase 1
0.56 Remote Similarity NPD9277 Approved
0.56 Remote Similarity NPD75 Approved

Structure

External Identifiers

PubChem CID   378
ChEMBL   CHEMBL24231
ZINC  

Physicochemical Properties

Molecular Weight:  218.99
ALogP:  0.264
MLogP:  1.24
XLogP:  0.491
# Rotatable Bonds:  6
Polar Surface Area:  119.71
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  14

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Biological Activities  
Similar NPs/Drugs