Natural Product: NPC159722

Natural Product ID:  NPC159722
Common Name:   2-Amino-5-Nitrobenzoic Acid
IUPAC Name:   2-amino-5-nitrobenzoic acid
Synonyms:  
Molecular Formula:   C7H6N2O4
Standard InCHIKey:  RUCHWTKMOWXHLU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
Canonical SMILES:  OC(=O)c1cc(ccc1N)N(=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
NPO16088 Streptomyces scabiei Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30 % 10.1016/S0960-894X(97)00261-8

  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 NPC159722 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
0.875 High Similarity NPC130931
0.8594 High Similarity NPC229353
0.8358 Intermediate Similarity NPC314278
0.7972 Intermediate Similarity NPC181527
0.7943 Intermediate Similarity NPC253476
0.7941 Intermediate Similarity NPC226794
0.791 Intermediate Similarity NPC150323
0.774 Intermediate Similarity NPC43477
0.7714 Intermediate Similarity NPC122235
0.76 Intermediate Similarity NPC259678
0.7534 Intermediate Similarity NPC316574
0.7432 Intermediate Similarity NPC314252
0.7432 Intermediate Similarity NPC181526
0.7415 Intermediate Similarity NPC43218
0.7397 Intermediate Similarity NPC173295
0.7394 Intermediate Similarity NPC307437
0.7394 Intermediate Similarity NPC58827
0.7394 Intermediate Similarity NPC72473
0.7329 Intermediate Similarity NPC182131
0.7254 Intermediate Similarity NPC205946
0.7172 Intermediate Similarity NPC477432
0.7115 Intermediate Similarity NPC241392
0.7081 Intermediate Similarity NPC27904
0.7013 Intermediate Similarity NPC323798
0.7007 Intermediate Similarity NPC314098
0.6994 Remote Similarity NPC189116
0.6993 Remote Similarity NPC301702
0.6974 Remote Similarity NPC242933
0.694 Remote Similarity NPC172170
0.694 Remote Similarity NPC37584
0.6939 Remote Similarity NPC194562
0.6903 Remote Similarity NPC190945
0.6835 Remote Similarity NPC300596
0.6835 Remote Similarity NPC237649
0.6821 Remote Similarity NPC471742
0.6763 Remote Similarity NPC470317
0.671 Remote Similarity NPC316202
0.6688 Remote Similarity NPC319645
0.6686 Remote Similarity NPC256268
0.6646 Remote Similarity NPC472242
0.6629 Remote Similarity NPC313293
0.6628 Remote Similarity NPC219848
0.6627 Remote Similarity NPC471778
0.657 Remote Similarity NPC471743
0.6562 Remote Similarity NPC62765
0.6527 Remote Similarity NPC199737
0.6519 Remote Similarity NPC314287
0.6485 Remote Similarity NPC63370
0.6485 Remote Similarity NPC36836
0.6477 Remote Similarity NPC243058
0.6471 Remote Similarity NPC38262
0.6463 Remote Similarity NPC39818
0.646 Remote Similarity NPC315829
0.6457 Remote Similarity NPC475685
0.6456 Remote Similarity NPC472241
0.6447 Remote Similarity NPC316746
0.6442 Remote Similarity NPC264400
0.6441 Remote Similarity NPC203635
0.6439 Remote Similarity NPC61944
0.6434 Remote Similarity NPC222982
0.6433 Remote Similarity NPC472243
0.6429 Remote Similarity NPC475983
0.6419 Remote Similarity NPC254698
0.638 Remote Similarity NPC144691
0.6379 Remote Similarity NPC8467
0.6376 Remote Similarity NPC317758
0.6375 Remote Similarity NPC130797
0.6369 Remote Similarity NPC315224
0.6369 Remote Similarity NPC90415
0.6333 Remote Similarity NPC278434
0.6331 Remote Similarity NPC88970
0.6331 Remote Similarity NPC44836
0.6327 Remote Similarity NPC279385
0.6327 Remote Similarity NPC179605
0.6319 Remote Similarity NPC160179
0.6301 Remote Similarity NPC474814
0.6301 Remote Similarity NPC112336
0.6296 Remote Similarity NPC228435
0.6296 Remote Similarity NPC146370
0.6291 Remote Similarity NPC322433
0.6284 Remote Similarity NPC103292
0.6282 Remote Similarity NPC317872
0.6269 Remote Similarity NPC253423
0.6257 Remote Similarity NPC471130
0.625 Remote Similarity NPC9475
0.625 Remote Similarity NPC282895
0.625 Remote Similarity NPC318107
0.6243 Remote Similarity NPC473815
0.6242 Remote Similarity NPC268534
0.6225 Remote Similarity NPC470343
0.6225 Remote Similarity NPC472244
0.6222 Remote Similarity NPC229242
0.6209 Remote Similarity NPC209389
0.6204 Remote Similarity NPC284477
0.6203 Remote Similarity NPC287358
0.6199 Remote Similarity NPC204867
0.6196 Remote Similarity NPC478039
0.6176 Remote Similarity NPC322644
0.6176 Remote Similarity NPC217621
0.6158 Remote Similarity NPC315631
0.6145 Remote Similarity NPC314223
0.6145 Remote Similarity NPC288305
0.6139 Remote Similarity NPC159589
0.6136 Remote Similarity NPC470548
0.6136 Remote Similarity NPC475594
0.6129 Remote Similarity NPC476257
0.6129 Remote Similarity NPC476129
0.6129 Remote Similarity NPC476207
0.6129 Remote Similarity NPC476206
0.6129 Remote Similarity NPC476212
0.6129 Remote Similarity NPC259791
0.6129 Remote Similarity NPC476205
0.6129 Remote Similarity NPC476256
0.6124 Remote Similarity NPC474815
0.6102 Remote Similarity NPC475607
0.6101 Remote Similarity NPC122553
0.6098 Remote Similarity NPC470579
0.6096 Remote Similarity NPC476218
0.6096 Remote Similarity NPC108804
0.6093 Remote Similarity NPC2982
0.6092 Remote Similarity NPC470971
0.6089 Remote Similarity NPC98416
0.6087 Remote Similarity NPC25458
0.6087 Remote Similarity NPC304873
0.6082 Remote Similarity NPC46679
0.608 Remote Similarity NPC177261
0.6067 Remote Similarity NPC474081
0.6065 Remote Similarity NPC314431
0.6065 Remote Similarity NPC280807
0.6065 Remote Similarity NPC472245
0.6058 Remote Similarity NPC323726
0.6054 Remote Similarity NPC147957
0.6051 Remote Similarity NPC85661
0.6051 Remote Similarity NPC121510
0.6051 Remote Similarity NPC171882
0.6045 Remote Similarity NPC303225
0.6045 Remote Similarity NPC261181
0.6044 Remote Similarity NPC282103
0.6043 Remote Similarity NPC291426
0.6043 Remote Similarity NPC255676
0.6043 Remote Similarity NPC178681
0.604 Remote Similarity NPC291962
0.604 Remote Similarity NPC177684
0.604 Remote Similarity NPC321869
0.6034 Remote Similarity NPC475761
0.6034 Remote Similarity NPC474041
0.6027 Remote Similarity NPC205652
0.6027 Remote Similarity NPC470550
0.6013 Remote Similarity NPC474473
0.6013 Remote Similarity NPC474926
0.6 Remote Similarity NPC112373
0.6 Remote Similarity NPC258531
0.6 Remote Similarity NPC161956
0.6 Remote Similarity NPC324786
0.5988 Remote Similarity NPC13526
0.5972 Remote Similarity NPC329358
0.5965 Remote Similarity NPC153694
0.5965 Remote Similarity NPC211525
0.596 Remote Similarity NPC257490
0.5957 Remote Similarity NPC198205
0.5957 Remote Similarity NPC105899
0.5957 Remote Similarity NPC21483
0.5954 Remote Similarity NPC257763
0.5951 Remote Similarity NPC13696
0.5949 Remote Similarity NPC130655
0.5947 Remote Similarity NPC311054
0.5947 Remote Similarity NPC112752
0.5946 Remote Similarity NPC188867
0.5946 Remote Similarity NPC281686
0.5946 Remote Similarity NPC106551
0.5946 Remote Similarity NPC477998
0.5944 Remote Similarity NPC85493
0.5932 Remote Similarity NPC292265
0.593 Remote Similarity NPC36495
0.5928 Remote Similarity NPC314648
0.5924 Remote Similarity NPC314473
0.5916 Remote Similarity NPC90358
0.5916 Remote Similarity NPC107828
0.5915 Remote Similarity NPC184658
0.5915 Remote Similarity NPC187913
0.5912 Remote Similarity NPC316104
0.5912 Remote Similarity NPC293628
0.5912 Remote Similarity NPC162417
0.5912 Remote Similarity NPC122493
0.5912 Remote Similarity NPC10781
0.5899 Remote Similarity NPC70201
0.5897 Remote Similarity NPC150863
0.5896 Remote Similarity NPC110704
0.5896 Remote Similarity NPC93653
0.5895 Remote Similarity NPC198390
0.589 Remote Similarity NPC85443
0.5886 Remote Similarity NPC476689
0.5886 Remote Similarity NPC40364
0.5886 Remote Similarity NPC476685
0.5886 Remote Similarity NPC476687
0.5882 Remote Similarity NPC130398
0.5882 Remote Similarity NPC138370
0.5879 Remote Similarity NPC314186
0.5879 Remote Similarity NPC91234
0.5876 Remote Similarity NPC472118

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC159722 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
0.8058 Intermediate Similarity NPD9471 Clinical (unspecified phase)
0.791 Intermediate Similarity NPD9272 Approved
0.7808 Intermediate Similarity NPD1189 Approved
0.7755 Intermediate Similarity NPD1625 Approved
0.7534 Intermediate Similarity NPD9279 Approved
0.75 Intermediate Similarity NPD9477 Approved
0.75 Intermediate Similarity NPD1574 Approved
0.7483 Intermediate Similarity NPD1626 Approved
0.7426 Intermediate Similarity NPD9247 Phase 3
0.7338 Intermediate Similarity NPD9692 Approved
0.7338 Intermediate Similarity NPD9693 Approved
0.7273 Intermediate Similarity NPD4888 Discontinued
0.7179 Intermediate Similarity NPD1230 Approved
0.7171 Intermediate Similarity NPD1195 Approved
0.7124 Intermediate Similarity NPD1196 Approved
0.7107 Intermediate Similarity NPD2672 Discontinued
0.7107 Intermediate Similarity NPD2836 Approved
0.7083 Intermediate Similarity NPD1593 Approved
0.7083 Intermediate Similarity NPD553 Approved
0.7083 Intermediate Similarity NPD9567 Approved
0.7083 Intermediate Similarity NPD552 Approved
0.7039 Intermediate Similarity NPD9274 Approved
0.7039 Intermediate Similarity NPD9276 Approved
0.7039 Intermediate Similarity NPD9275 Approved
0.7039 Intermediate Similarity NPD9278 Suspended
0.7037 Intermediate Similarity NPD1210 Approved
0.7006 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD9509 Clinical (unspecified phase)
0.6993 Remote Similarity NPD9277 Approved
0.6993 Remote Similarity NPD75 Approved
0.6993 Remote Similarity NPD2923 Approved
0.6987 Remote Similarity NPD1543 Discontinued
0.6985 Remote Similarity NPD9508 Approved
0.6954 Remote Similarity NPD1532 Approved
0.6944 Remote Similarity NPD655 Approved
0.6944 Remote Similarity NPD660 Approved
0.6944 Remote Similarity NPD661 Approved
0.6944 Remote Similarity NPD657 Approved
0.6903 Remote Similarity NPD2435 Approved
0.6892 Remote Similarity NPD1190 Approved
0.6859 Remote Similarity NPD6185 Discontinued
0.6852 Remote Similarity NPD212 Discontinued
0.6815 Remote Similarity NPD4607 Approved
0.6815 Remote Similarity NPD4041 Approved
0.6803 Remote Similarity NPD701 Approved
0.6803 Remote Similarity NPD698 Approved
0.6797 Remote Similarity NPD3170 Approved
0.679 Remote Similarity NPD1208 Approved
0.679 Remote Similarity NPD1211 Clinical (unspecified phase)
0.6774 Remote Similarity NPD168 Phase 1
0.6774 Remote Similarity NPD167 Phase 2
0.6774 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6772 Remote Similarity NPD3352 Approved
0.6772 Remote Similarity NPD6758 Approved
0.6757 Remote Similarity NPD663 Approved
0.6757 Remote Similarity NPD658 Approved
0.6757 Remote Similarity NPD659 Approved
0.6757 Remote Similarity NPD662 Approved
0.6757 Remote Similarity NPD656 Approved
0.6755 Remote Similarity NPD1531 Approved
0.6728 Remote Similarity NPD1514 Discontinued
0.6706 Remote Similarity NPD2359 Approved
0.6705 Remote Similarity NPD5637 Discontinued
0.6691 Remote Similarity NPD181 Approved
0.6688 Remote Similarity NPD1109 Approved
0.6688 Remote Similarity NPD1110 Approved
0.6687 Remote Similarity NPD4513 Discontinued
0.6667 Remote Similarity NPD2361 Approved
0.6667 Remote Similarity NPD5086 Approved
0.6647 Remote Similarity NPD1220 Phase 1
0.6646 Remote Similarity NPD7670 Clinical (unspecified phase)
0.6646 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6625 Remote Similarity NPD4161 Discontinued
0.6605 Remote Similarity NPD2948 Discontinued
0.6605 Remote Similarity NPD3399 Approved
0.6599 Remote Similarity NPD182 Clinical (unspecified phase)
0.6579 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9256 Approved
0.6562 Remote Similarity NPD9258 Approved
0.6532 Remote Similarity NPD1221 Approved
0.6522 Remote Similarity NPD476 Approved
0.6506 Remote Similarity NPD7114 Clinical (unspecified phase)
0.6494 Remote Similarity NPD1228 Phase 2
0.6485 Remote Similarity NPD6570 Approved
0.6485 Remote Similarity NPD6571 Approved
0.6485 Remote Similarity NPD6913 Approved
0.6471 Remote Similarity NPD2821 Approved
0.6467 Remote Similarity NPD7244 Discontinued
0.6467 Remote Similarity NPD4311 Approved
0.6433 Remote Similarity NPD1839 Phase 1
0.6424 Remote Similarity NPD3684 Discontinued
0.642 Remote Similarity NPD1664 Clinical (unspecified phase)
0.6408 Remote Similarity NPD456 Approved
0.6407 Remote Similarity NPD4335 Clinical (unspecified phase)
0.6405 Remote Similarity NPD3502 Discovery
0.6402 Remote Similarity NPD9715 Phase 2
0.6395 Remote Similarity NPD1913 Phase 1
0.6374 Remote Similarity NPD7570 Approved
0.6374 Remote Similarity NPD7569 Approved
0.6369 Remote Similarity NPD12 Approved
0.6369 Remote Similarity NPD699 Approved
0.6369 Remote Similarity NPD13 Approved
0.6369 Remote Similarity NPD697 Approved
0.6369 Remote Similarity NPD700 Approved
0.6358 Remote Similarity NPD1340 Discontinued
0.6358 Remote Similarity NPD1802 Approved
0.6358 Remote Similarity NPD1801 Approved
0.6353 Remote Similarity NPD3252 Approved
0.6353 Remote Similarity NPD7035 Approved
0.6353 Remote Similarity NPD7036 Phase 3
0.6348 Remote Similarity NPD9468 Clinical (unspecified phase)
0.6345 Remote Similarity NPD457 Approved
0.6341 Remote Similarity NPD711 Discontinued
0.6333 Remote Similarity NPD6793 Clinical (unspecified phase)
0.6329 Remote Similarity NPD1209 Approved
0.6329 Remote Similarity NPD1205 Approved
0.6319 Remote Similarity NPD7528 Approved
0.6316 Remote Similarity NPD766 Clinical (unspecified phase)
0.6316 Remote Similarity NPD8003 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3251 Approved
0.6316 Remote Similarity NPD8002 Clinical (unspecified phase)
0.6313 Remote Similarity NPD6045 Phase 3
0.6306 Remote Similarity NPD2670 Approved
0.6303 Remote Similarity NPD1633 Approved
0.6301 Remote Similarity NPD1165 Clinical (unspecified phase)
0.6294 Remote Similarity NPD955 Approved
0.6294 Remote Similarity NPD8008 Approved
0.6294 Remote Similarity NPD8007 Approved
0.6292 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6291 Remote Similarity NPD9540 Approved
0.6291 Remote Similarity NPD797 Clinical (unspecified phase)
0.6289 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6287 Remote Similarity NPD951 Approved
0.6265 Remote Similarity NPD1634 Approved
0.6258 Remote Similarity NPD1541 Approved
0.6257 Remote Similarity NPD5430 Discontinued
0.6257 Remote Similarity NPD5923 Phase 1
0.625 Remote Similarity NPD9259 Approved
0.625 Remote Similarity NPD9257 Approved
0.6242 Remote Similarity NPD5227 Clinical (unspecified phase)
0.6237 Remote Similarity NPD5195 Discontinued
0.623 Remote Similarity NPD5076 Approved
0.623 Remote Similarity NPD5042 Phase 1
0.623 Remote Similarity NPD5077 Approved
0.6225 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6216 Remote Similarity NPD7256 Discontinued
0.6207 Remote Similarity NPD3776 Discontinued
0.6193 Remote Similarity NPD3004 Clinical (unspecified phase)
0.6185 Remote Similarity NPD2247 Approved
0.6185 Remote Similarity NPD2034 Discontinued
0.6185 Remote Similarity NPD2249 Approved
0.6178 Remote Similarity NPD1071 Clinical (unspecified phase)
0.6178 Remote Similarity NPD2791 Discontinued
0.6174 Remote Similarity NPD1079 Discontinued
0.6168 Remote Similarity NPD2360 Approved
0.6159 Remote Similarity NPD9539 Approved
0.6159 Remote Similarity NPD9541 Approved
0.6158 Remote Similarity NPD5498 Phase 2
0.6158 Remote Similarity NPD8006 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1527 Phase 2
0.6149 Remote Similarity NPD2365 Approved
0.614 Remote Similarity NPD9487 Approved
0.6139 Remote Similarity NPD1206 Approved
0.6139 Remote Similarity NPD1207 Approved
0.6139 Remote Similarity NPD471 Approved
0.6133 Remote Similarity NPD6163 Clinical (unspecified phase)
0.6131 Remote Similarity NPD1092 Approved
0.6131 Remote Similarity NPD1093 Approved
0.6121 Remote Similarity NPD979 Approved
0.612 Remote Similarity NPD7855 Clinical (unspecified phase)
0.6115 Remote Similarity NPD5185 Approved
0.6115 Remote Similarity NPD5182 Approved
0.6115 Remote Similarity NPD5184 Approved
0.6111 Remote Similarity NPD4430 Phase 2
0.6111 Remote Similarity NPD2820 Phase 3
0.6095 Remote Similarity NPD2366 Approved
0.6084 Remote Similarity NPD1405 Approved
0.6077 Remote Similarity NPD7546 Discontinued
0.6076 Remote Similarity NPD9694 Discovery
0.6069 Remote Similarity NPD1682 Approved
0.6069 Remote Similarity NPD1680 Approved
0.6069 Remote Similarity NPD1681 Approved
0.6067 Remote Similarity NPD3755 Clinical (unspecified phase)
0.6065 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6065 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6061 Remote Similarity NPD1553 Approved
0.6057 Remote Similarity NPD2369 Discontinued
0.6054 Remote Similarity NPD732 Approved
0.6054 Remote Similarity NPD733 Approved
0.6054 Remote Similarity NPD5504 Discontinued
0.6051 Remote Similarity NPD4506 Discontinued
0.6045 Remote Similarity NPD7940 Phase 3
0.6045 Remote Similarity NPD5466 Approved
0.6045 Remote Similarity NPD5919 Clinical (unspecified phase)
0.6045 Remote Similarity NPD1202 Approved
0.6044 Remote Similarity NPD927 Approved
0.6026 Remote Similarity NPD518 Clinical (unspecified phase)
0.6026 Remote Similarity NPD486 Clinical (unspecified phase)
0.6026 Remote Similarity NPD1069 Approved
0.6026 Remote Similarity NPD1070 Approved

Structure

External Identifiers

PubChem CID   12032
ChEMBL   CHEMBL39476
ZINC  

Physicochemical Properties

Molecular Weight:  182.03
ALogP:  -0.3296
MLogP:  1.57
XLogP:  1.319
# Rotatable Bonds:  5
Polar Surface Area:  106.46
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  13

Download Data

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