Natural Product: NPC323726

Natural Product ID:  NPC323726
Common Name:   1-Nitronaphthalene
IUPAC Name:   1-nitronaphthalene
Synonyms:   1-Nitro-Naphthalene
Molecular Formula:   C10H7NO2
Standard InCHIKey:  RJKGJBPXVHTNJL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Canonical SMILES:  O=N(=O)c1cccc2c1cccc2
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
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Activity = -0.61 1995902
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 42163.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 123.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34376.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 74978 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5494.8 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 NPC323726 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
0.8542 High Similarity NPC108800
0.7677 Intermediate Similarity NPC176858
0.76 Intermediate Similarity NPC191444
0.7523 Intermediate Similarity NPC79618
0.7207 Intermediate Similarity NPC434
0.7087 Intermediate Similarity NPC78154
0.7059 Intermediate Similarity NPC30445
0.7059 Intermediate Similarity NPC111233
0.6961 Remote Similarity NPC262295
0.6827 Remote Similarity NPC173991
0.6562 Remote Similarity NPC328590
0.6552 Remote Similarity NPC302790
0.6549 Remote Similarity NPC178681
0.6526 Remote Similarity NPC271732
0.646 Remote Similarity NPC291610
0.6393 Remote Similarity NPC147957
0.6364 Remote Similarity NPC205652
0.6344 Remote Similarity NPC291066
0.6327 Remote Similarity NPC66775
0.6325 Remote Similarity NPC172170
0.632 Remote Similarity NPC161052
0.632 Remote Similarity NPC258787
0.6299 Remote Similarity NPC2982
0.6293 Remote Similarity NPC313362
0.6286 Remote Similarity NPC229477
0.6283 Remote Similarity NPC316435
0.6281 Remote Similarity NPC187036
0.6273 Remote Similarity NPC476483
0.627 Remote Similarity NPC475915
0.6263 Remote Similarity NPC301874
0.625 Remote Similarity NPC119677
0.625 Remote Similarity NPC104070
0.6239 Remote Similarity NPC470926
0.623 Remote Similarity NPC470550
0.622 Remote Similarity NPC132146
0.622 Remote Similarity NPC39818
0.6214 Remote Similarity NPC307456
0.6194 Remote Similarity NPC313352
0.6179 Remote Similarity NPC288232
0.6174 Remote Similarity NPC239854
0.616 Remote Similarity NPC264580
0.6148 Remote Similarity NPC296163
0.6139 Remote Similarity NPC98269
0.6139 Remote Similarity NPC325662
0.6134 Remote Similarity NPC164802
0.6129 Remote Similarity NPC71009
0.6124 Remote Similarity NPC192533
0.6119 Remote Similarity NPC130655
0.6111 Remote Similarity NPC54102
0.6111 Remote Similarity NPC162689
0.6095 Remote Similarity NPC15839
0.609 Remote Similarity NPC314473
0.6082 Remote Similarity NPC139416
0.6082 Remote Similarity NPC213570
0.6082 Remote Similarity NPC246822
0.608 Remote Similarity NPC192209
0.608 Remote Similarity NPC148140
0.608 Remote Similarity NPC313449
0.6075 Remote Similarity NPC258046
0.6071 Remote Similarity NPC329430
0.6064 Remote Similarity NPC113670
0.6063 Remote Similarity NPC317564
0.6058 Remote Similarity NPC159722
0.605 Remote Similarity NPC44836
0.605 Remote Similarity NPC37584
0.6038 Remote Similarity NPC169016
0.6032 Remote Similarity NPC81561
0.6031 Remote Similarity NPC314278
0.6028 Remote Similarity NPC190945
0.602 Remote Similarity NPC263385
0.602 Remote Similarity NPC251490
0.602 Remote Similarity NPC219246
0.602 Remote Similarity NPC72670
0.6016 Remote Similarity NPC257490
0.6016 Remote Similarity NPC314141
0.6 Remote Similarity NPC473429
0.6 Remote Similarity NPC299134
0.5969 Remote Similarity NPC268534
0.5963 Remote Similarity NPC297532
0.596 Remote Similarity NPC226999
0.596 Remote Similarity NPC1008
0.596 Remote Similarity NPC39799
0.596 Remote Similarity NPC158028
0.596 Remote Similarity NPC135433
0.596 Remote Similarity NPC280135
0.596 Remote Similarity NPC193578
0.596 Remote Similarity NPC87099
0.5941 Remote Similarity NPC98976
0.594 Remote Similarity NPC259098
0.594 Remote Similarity NPC197680
0.5932 Remote Similarity NPC38262
0.592 Remote Similarity NPC218710
0.5918 Remote Similarity NPC200936
0.5902 Remote Similarity NPC329358
0.59 Remote Similarity NPC1901
0.5891 Remote Similarity NPC215519
0.5887 Remote Similarity NPC322735
0.5887 Remote Similarity NPC470090
0.5882 Remote Similarity NPC271642
0.5876 Remote Similarity NPC267443
0.5872 Remote Similarity NPC43655
0.587 Remote Similarity NPC159589
0.5865 Remote Similarity NPC478079
0.5865 Remote Similarity NPC250361
0.5859 Remote Similarity NPC291962
0.5859 Remote Similarity NPC229235
0.5859 Remote Similarity NPC177684
0.5859 Remote Similarity NPC226143
0.5857 Remote Similarity NPC169433
0.5851 Remote Similarity NPC310758
0.5851 Remote Similarity NPC246588
0.5851 Remote Similarity NPC238023
0.5842 Remote Similarity NPC122327
0.5842 Remote Similarity NPC258492
0.5842 Remote Similarity NPC96835
0.5842 Remote Similarity NPC112609
0.5842 Remote Similarity NPC113000
0.584 Remote Similarity NPC329190
0.5839 Remote Similarity NPC63370
0.5839 Remote Similarity NPC36836
0.5833 Remote Similarity NPC122718
0.5821 Remote Similarity NPC209389
0.5816 Remote Similarity NPC312092
0.5814 Remote Similarity NPC179605
0.5814 Remote Similarity NPC112373
0.5814 Remote Similarity NPC258531
0.5814 Remote Similarity NPC161956
0.5814 Remote Similarity NPC279385
0.5809 Remote Similarity NPC282398
0.5806 Remote Similarity NPC36357
0.5806 Remote Similarity NPC114327
0.5804 Remote Similarity NPC282578
0.5797 Remote Similarity NPC317872
0.5794 Remote Similarity NPC317031
0.5794 Remote Similarity NPC134825
0.5789 Remote Similarity NPC252794
0.5789 Remote Similarity NPC22786
0.5789 Remote Similarity NPC66517
0.5784 Remote Similarity NPC307195
0.5778 Remote Similarity NPC187231
0.5778 Remote Similarity NPC473762
0.5769 Remote Similarity NPC12857
0.5769 Remote Similarity NPC103292
0.5766 Remote Similarity NPC107135
0.5766 Remote Similarity NPC315403
0.5758 Remote Similarity NPC473206
0.5758 Remote Similarity NPC46358
0.5758 Remote Similarity NPC317758
0.5746 Remote Similarity NPC145754
0.5746 Remote Similarity NPC476950
0.5743 Remote Similarity NPC244738
0.5736 Remote Similarity NPC143603
0.5735 Remote Similarity NPC473587
0.5733 Remote Similarity NPC51054
0.5729 Remote Similarity NPC21211
0.5729 Remote Similarity NPC50266
0.5726 Remote Similarity NPC75496
0.5714 Remote Similarity NPC92689
0.5714 Remote Similarity NPC325013
0.5702 Remote Similarity NPC322040
0.5693 Remote Similarity NPC475428
0.5682 Remote Similarity NPC254698
0.5682 Remote Similarity NPC41174
0.5676 Remote Similarity NPC262393
0.5676 Remote Similarity NPC40209
0.5673 Remote Similarity NPC290638
0.567 Remote Similarity NPC155172
0.5669 Remote Similarity NPC222982
0.5659 Remote Similarity NPC228515
0.5659 Remote Similarity NPC229353
0.5658 Remote Similarity NPC6436
0.5652 Remote Similarity NPC179365
0.5652 Remote Similarity NPC475450
0.5643 Remote Similarity NPC475707
0.5636 Remote Similarity NPC203076
0.5635 Remote Similarity NPC57051
0.5631 Remote Similarity NPC276699
0.563 Remote Similarity NPC476140
0.5625 Remote Similarity NPC313673
0.5625 Remote Similarity NPC200745
0.5625 Remote Similarity NPC277157
0.562 Remote Similarity NPC316746
0.5619 Remote Similarity NPC66270
0.5619 Remote Similarity NPC255345
0.5619 Remote Similarity NPC245896
0.5616 Remote Similarity NPC470579
0.5612 Remote Similarity NPC473930

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC323726 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
0.7586 Intermediate Similarity NPD1525 Approved
0.7434 Intermediate Similarity NPD456 Approved
0.7179 Intermediate Similarity NPD457 Approved
0.7105 Intermediate Similarity NPD2038 Approved
0.7105 Intermediate Similarity NPD2039 Approved
0.6929 Remote Similarity NPD1502 Approved
0.6891 Remote Similarity NPD299 Phase 3
0.685 Remote Similarity NPD1190 Approved
0.6757 Remote Similarity NPD4734 Approved
0.6757 Remote Similarity NPD4735 Approved
0.6754 Remote Similarity NPD5253 Approved
0.675 Remote Similarity NPD9247 Phase 3
0.6695 Remote Similarity NPD2914 Approved
0.6695 Remote Similarity NPD2913 Approved
0.6692 Remote Similarity NPD5068 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3546 Approved
0.6667 Remote Similarity NPD3545 Approved
0.6667 Remote Similarity NPD3240 Phase 2
0.6638 Remote Similarity NPD3548 Approved
0.6638 Remote Similarity NPD4116 Approved
0.6609 Remote Similarity NPD4114 Approved
0.6609 Remote Similarity NPD4115 Approved
0.6567 Remote Similarity NPD1870 Approved
0.6522 Remote Similarity NPD1956 Clinical (unspecified phase)
0.6496 Remote Similarity NPD1539 Approved
0.6434 Remote Similarity NPD9701 Discontinued
0.6396 Remote Similarity NPD9070 Clinical (unspecified phase)
0.6387 Remote Similarity NPD2999 Approved
0.6387 Remote Similarity NPD3001 Approved
0.6379 Remote Similarity NPD990 Approved
0.6379 Remote Similarity NPD993 Approved
0.6371 Remote Similarity NPD2210 Approved
0.6371 Remote Similarity NPD2212 Approved
0.6364 Remote Similarity NPD5629 Discontinued
0.6364 Remote Similarity NPD5631 Phase 3
0.6325 Remote Similarity NPD6299 Approved
0.6325 Remote Similarity NPD6300 Approved
0.632 Remote Similarity NPD2338 Clinical (unspecified phase)
0.6308 Remote Similarity NPD4895 Clinical (unspecified phase)
0.6303 Remote Similarity NPD909 Clinical (unspecified phase)
0.6277 Remote Similarity NPD1953 Discontinued
0.6273 Remote Similarity NPD1394 Approved
0.6269 Remote Similarity NPD679 Approved
0.626 Remote Similarity NPD1596 Approved
0.6241 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6239 Remote Similarity NPD1065 Approved
0.6239 Remote Similarity NPD517 Discontinued
0.6239 Remote Similarity NPD1064 Approved
0.6222 Remote Similarity NPD5227 Clinical (unspecified phase)
0.6218 Remote Similarity NPD7633 Discontinued
0.6214 Remote Similarity NPD6185 Discontinued
0.619 Remote Similarity NPD2539 Approved
0.619 Remote Similarity NPD2538 Approved
0.6182 Remote Similarity NPD4408 Approved
0.6182 Remote Similarity NPD4405 Approved
0.6182 Remote Similarity NPD4407 Approved
0.6174 Remote Similarity NPD1417 Approved
0.6174 Remote Similarity NPD1419 Approved
0.6148 Remote Similarity NPD5179 Approved
0.6148 Remote Similarity NPD5180 Approved
0.6148 Remote Similarity NPD5181 Approved
0.6134 Remote Similarity NPD1721 Clinical (unspecified phase)
0.6134 Remote Similarity NPD7156 Discontinued
0.6134 Remote Similarity NPD477 Phase 1
0.6127 Remote Similarity NPD6758 Approved
0.6126 Remote Similarity NPD4542 Approved
0.6126 Remote Similarity NPD4545 Approved
0.6121 Remote Similarity NPD2244 Clinical (unspecified phase)
0.6115 Remote Similarity NPD2923 Approved
0.6083 Remote Similarity NPD1108 Approved
0.6083 Remote Similarity NPD1107 Approved
0.608 Remote Similarity NPD7480 Approved
0.608 Remote Similarity NPD7481 Approved
0.6064 Remote Similarity NPD675 Discontinued
0.6055 Remote Similarity NPD5656 Clinical (unspecified phase)
0.6045 Remote Similarity NPD9471 Clinical (unspecified phase)
0.6043 Remote Similarity NPD5518 Clinical (unspecified phase)
0.6032 Remote Similarity NPD1216 Clinical (unspecified phase)
0.6032 Remote Similarity NPD5657 Phase 3
0.6031 Remote Similarity NPD2840 Approved
0.6031 Remote Similarity NPD1950 Approved
0.6031 Remote Similarity NPD1949 Approved
0.6028 Remote Similarity NPD2435 Approved
0.6018 Remote Similarity NPD2005 Discontinued
0.6017 Remote Similarity NPD563 Approved
0.6017 Remote Similarity NPD564 Approved
0.6016 Remote Similarity NPD1175 Approved
0.6015 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6015 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6014 Remote Similarity NPD1626 Approved
0.6 Remote Similarity NPD6660 Discontinued
0.6 Remote Similarity NPD178 Clinical (unspecified phase)
0.6 Remote Similarity NPD7670 Clinical (unspecified phase)
0.5984 Remote Similarity NPD3499 Approved
0.5984 Remote Similarity NPD1306 Clinical (unspecified phase)
0.5984 Remote Similarity NPD3498 Approved
0.5981 Remote Similarity NPD9505 Clinical (unspecified phase)
0.5965 Remote Similarity NPD5598 Approved
0.5965 Remote Similarity NPD5597 Approved
0.5965 Remote Similarity NPD716 Approved
0.5963 Remote Similarity NPD3345 Approved
0.596 Remote Similarity NPD292 Approved
0.596 Remote Similarity NPD294 Approved
0.5944 Remote Similarity NPD4041 Approved
0.5944 Remote Similarity NPD4607 Approved
0.5943 Remote Similarity NPD4635 Approved
0.594 Remote Similarity NPD7582 Discontinued
0.5938 Remote Similarity NPD2340 Discontinued
0.5935 Remote Similarity NPD181 Approved
0.5929 Remote Similarity NPD665 Phase 2
0.5923 Remote Similarity NPD1498 Approved
0.5917 Remote Similarity NPD2243 Clinical (unspecified phase)
0.5909 Remote Similarity NPD797 Clinical (unspecified phase)
0.5909 Remote Similarity NPD6900 Discontinued
0.5906 Remote Similarity NPD1668 Clinical (unspecified phase)
0.5905 Remote Similarity NPD3035 Approved
0.5903 Remote Similarity NPD3352 Approved
0.5899 Remote Similarity NPD7142 Discontinued
0.5887 Remote Similarity NPD23 Approved
0.5878 Remote Similarity NPD2940 Approved
0.5878 Remote Similarity NPD2938 Approved
0.5877 Remote Similarity NPD2895 Discontinued
0.5877 Remote Similarity NPD2507 Clinical (unspecified phase)
0.5874 Remote Similarity NPD2887 Clinical (unspecified phase)
0.5873 Remote Similarity NPD6069 Approved
0.5873 Remote Similarity NPD6070 Approved
0.587 Remote Similarity NPD471 Approved
0.5868 Remote Similarity NPD476 Approved
0.5868 Remote Similarity NPD2678 Approved
0.5868 Remote Similarity NPD2679 Approved
0.5867 Remote Similarity NPD4335 Clinical (unspecified phase)
0.5865 Remote Similarity NPD1560 Clinical (unspecified phase)
0.5865 Remote Similarity NPD1516 Approved
0.5862 Remote Similarity NPD1946 Clinical (unspecified phase)
0.5859 Remote Similarity NPD1479 Clinical (unspecified phase)
0.5852 Remote Similarity NPD4300 Clinical (unspecified phase)
0.5849 Remote Similarity NPD4701 Clinical (unspecified phase)
0.5849 Remote Similarity NPD4170 Approved
0.5849 Remote Similarity NPD4169 Approved
0.5845 Remote Similarity NPD1625 Approved
0.5845 Remote Similarity NPD4430 Phase 2
0.5842 Remote Similarity NPD9590 Approved
0.5842 Remote Similarity NPD9591 Approved
0.5842 Remote Similarity NPD9588 Approved
0.5842 Remote Similarity NPD9592 Approved
0.5842 Remote Similarity NPD9594 Approved
0.5842 Remote Similarity NPD9593 Approved
0.5842 Remote Similarity NPD80 Approved
0.5842 Remote Similarity NPD9589 Approved
0.584 Remote Similarity NPD286 Approved
0.5839 Remote Similarity NPD6571 Approved
0.5839 Remote Similarity NPD6570 Approved
0.5833 Remote Similarity NPD4985 Clinical (unspecified phase)
0.5825 Remote Similarity NPD4147 Approved
0.5825 Remote Similarity NPD603 Approved
0.5825 Remote Similarity NPD4144 Approved
0.5822 Remote Similarity NPD4513 Discontinued
0.5816 Remote Similarity NPD2010 Phase 3
0.5814 Remote Similarity NPD6892 Discontinued
0.5812 Remote Similarity NPD1916 Discontinued
0.581 Remote Similarity NPD3904 Approved
0.581 Remote Similarity NPD3981 Approved
0.581 Remote Similarity NPD5371 Approved
0.581 Remote Similarity NPD5372 Approved
0.581 Remote Similarity NPD3903 Approved
0.581 Remote Similarity NPD3979 Approved
0.581 Remote Similarity NPD1617 Discontinued
0.5809 Remote Similarity NPD2322 Discovery
0.5806 Remote Similarity NPD1764 Approved
0.5806 Remote Similarity NPD1762 Approved
0.5804 Remote Similarity NPD3000 Approved
0.5804 Remote Similarity NPD2998 Approved
0.5804 Remote Similarity NPD2997 Approved
0.5804 Remote Similarity NPD5819 Phase 2
0.5802 Remote Similarity NPD3623 Clinical (unspecified phase)
0.5802 Remote Similarity NPD7461 Approved
0.5802 Remote Similarity NPD2964 Clinical (unspecified phase)
0.5802 Remote Similarity NPD3622 Clinical (unspecified phase)
0.5798 Remote Similarity NPD4937 Approved
0.5798 Remote Similarity NPD4936 Approved
0.5794 Remote Similarity NPD1720 Phase 2
0.5794 Remote Similarity NPD1723 Phase 2
0.5794 Remote Similarity NPD4000 Phase 3
0.5789 Remote Similarity NPD5554 Approved
0.5785 Remote Similarity NPD3420 Clinical (unspecified phase)
0.578 Remote Similarity NPD4409 Approved
0.578 Remote Similarity NPD4406 Approved
0.5778 Remote Similarity NPD4019 Clinical (unspecified phase)
0.5769 Remote Similarity NPD7663 Clinical (unspecified phase)
0.5769 Remote Similarity NPD9563 Approved
0.5769 Remote Similarity NPD9564 Approved
0.5769 Remote Similarity NPD79 Approved
0.5766 Remote Similarity NPD9108 Approved
0.5764 Remote Similarity NPD9691 Discontinued
0.5763 Remote Similarity NPD1540 Approved
0.576 Remote Similarity NPD3150 Approved
0.576 Remote Similarity NPD2659 Approved
0.576 Remote Similarity NPD3148 Approved
0.576 Remote Similarity NPD3147 Approved
0.576 Remote Similarity NPD3149 Approved

Structure

External Identifiers

PubChem CID   6849
ChEMBL   CHEMBL165373
ZINC  

Physicochemical Properties

Molecular Weight:  173.05
ALogP:  0.6601
MLogP:  2.23
XLogP:  4.559
# Rotatable Bonds:  2
Polar Surface Area:  43.14
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  13

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs