Natural Product: NPC181527

Natural Product ID:  NPC181527
Common Name:   Farylhydrazone B
IUPAC Name:   2-[(2E)-2-(1-carboxyethylidene)hydrazinyl]benzoic acid
Synonyms:   Farylhydrazone B
Molecular Formula:   C10H10N2O4
Standard InCHIKey:  LYFFILJUMNENGO-IZZDOVSWSA-N
Standard InCHI:  InChI=1S/C10H10N2O4/c1-6(9(13)14)11-12-8-5-3-2-4-7(8)10(15)16/h2-5,12H,1H3,(H,13,14)(H,15,16)/b11-6+
Canonical SMILES:  C/C(=NNc1ccccc1C(=O)O)/C(=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
NPO10809 Isaria farinosa Species Cordycipitaceae Eukaryota PMID[21158423]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 150000 nM 21158423
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IC50 > 150000 nM 21158423
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae IC50 > 150000 nM 21158423
NPT81 Cell Line A549 Homo sapiens IC50 > 120000 nM 21158423

  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 NPC181527 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
0.9485 High Similarity NPC259678
0.8682 High Similarity NPC130931
0.8284 Intermediate Similarity NPC226794
0.8273 Intermediate Similarity NPC253476
0.8043 Intermediate Similarity NPC122235
0.7972 Intermediate Similarity NPC159722
0.797 Intermediate Similarity NPC229353
0.7956 Intermediate Similarity NPC205946
0.7931 Intermediate Similarity NPC43477
0.7852 Intermediate Similarity NPC150323
0.7708 Intermediate Similarity NPC173295
0.7595 Intermediate Similarity NPC189116
0.7589 Intermediate Similarity NPC72473
0.7589 Intermediate Similarity NPC307437
0.7589 Intermediate Similarity NPC58827
0.7483 Intermediate Similarity NPC477432
0.7365 Intermediate Similarity NPC43218
0.7333 Intermediate Similarity NPC316202
0.731 Intermediate Similarity NPC314098
0.729 Intermediate Similarity NPC241392
0.7273 Intermediate Similarity NPC37584
0.7273 Intermediate Similarity NPC314278
0.7273 Intermediate Similarity NPC172170
0.725 Intermediate Similarity NPC27904
0.719 Intermediate Similarity NPC323798
0.7152 Intermediate Similarity NPC242933
0.7124 Intermediate Similarity NPC314287
0.7115 Intermediate Similarity NPC237649
0.7115 Intermediate Similarity NPC300596
0.7073 Intermediate Similarity NPC182131
0.7059 Intermediate Similarity NPC472241
0.7051 Intermediate Similarity NPC315829
0.7039 Intermediate Similarity NPC472243
0.7032 Intermediate Similarity NPC472242
0.702 Intermediate Similarity NPC316574
0.7007 Intermediate Similarity NPC194562
0.6974 Remote Similarity NPC319645
0.6959 Remote Similarity NPC316746
0.6948 Remote Similarity NPC301702
0.6933 Remote Similarity NPC91615
0.6928 Remote Similarity NPC314252
0.6928 Remote Similarity NPC181526
0.6923 Remote Similarity NPC8467
0.6879 Remote Similarity NPC471742
0.6863 Remote Similarity NPC469828
0.6842 Remote Similarity NPC122542
0.6842 Remote Similarity NPC256268
0.6807 Remote Similarity NPC471130
0.6797 Remote Similarity NPC287358
0.6788 Remote Similarity NPC88970
0.6784 Remote Similarity NPC219848
0.6781 Remote Similarity NPC317758
0.6727 Remote Similarity NPC322644
0.6724 Remote Similarity NPC243058
0.6705 Remote Similarity NPC475685
0.6686 Remote Similarity NPC203635
0.6686 Remote Similarity NPC9475
0.6667 Remote Similarity NPC472245
0.6646 Remote Similarity NPC144691
0.6629 Remote Similarity NPC470317
0.6628 Remote Similarity NPC471743
0.6622 Remote Similarity NPC474926
0.6621 Remote Similarity NPC179605
0.6621 Remote Similarity NPC279385
0.661 Remote Similarity NPC90415
0.6591 Remote Similarity NPC253423
0.6581 Remote Similarity NPC122553
0.6575 Remote Similarity NPC103292
0.6573 Remote Similarity NPC473815
0.6573 Remote Similarity NPC278434
0.657 Remote Similarity NPC475594
0.6562 Remote Similarity NPC478039
0.6541 Remote Similarity NPC229242
0.6538 Remote Similarity NPC476212
0.6538 Remote Similarity NPC315224
0.6538 Remote Similarity NPC476206
0.6538 Remote Similarity NPC476205
0.6538 Remote Similarity NPC476256
0.6538 Remote Similarity NPC476129
0.6538 Remote Similarity NPC259791
0.6538 Remote Similarity NPC476207
0.6538 Remote Similarity NPC476257
0.6532 Remote Similarity NPC475607
0.6515 Remote Similarity NPC61944
0.6512 Remote Similarity NPC62765
0.6512 Remote Similarity NPC92689
0.651 Remote Similarity NPC470343
0.651 Remote Similarity NPC472244
0.6503 Remote Similarity NPC476218
0.6503 Remote Similarity NPC108804
0.65 Remote Similarity NPC313293
0.6494 Remote Similarity NPC315631
0.6494 Remote Similarity NPC474081
0.6493 Remote Similarity NPC217621
0.649 Remote Similarity NPC150863
0.6467 Remote Similarity NPC322433
0.645 Remote Similarity NPC204867
0.6447 Remote Similarity NPC314431
0.6447 Remote Similarity NPC280807
0.6438 Remote Similarity NPC314186
0.6438 Remote Similarity NPC130797
0.6434 Remote Similarity NPC205652
0.6434 Remote Similarity NPC470550
0.6423 Remote Similarity NPC38262
0.6419 Remote Similarity NPC39818
0.6419 Remote Similarity NPC268534
0.6402 Remote Similarity NPC314223
0.6397 Remote Similarity NPC284477
0.6397 Remote Similarity NPC25458
0.6397 Remote Similarity NPC304873
0.6395 Remote Similarity NPC471778
0.6391 Remote Similarity NPC475983
0.6382 Remote Similarity NPC209389
0.6376 Remote Similarity NPC254698
0.6374 Remote Similarity NPC41717
0.6374 Remote Similarity NPC278887
0.637 Remote Similarity NPC228435
0.6369 Remote Similarity NPC154478
0.6364 Remote Similarity NPC476687
0.6364 Remote Similarity NPC476689
0.6364 Remote Similarity NPC40364
0.6364 Remote Similarity NPC474041
0.6364 Remote Similarity NPC475761
0.6364 Remote Similarity NPC476685
0.6352 Remote Similarity NPC85443
0.635 Remote Similarity NPC178681
0.6345 Remote Similarity NPC147957
0.6338 Remote Similarity NPC329011
0.6337 Remote Similarity NPC470971
0.6335 Remote Similarity NPC190945
0.633 Remote Similarity NPC471944
0.6328 Remote Similarity NPC98416
0.6327 Remote Similarity NPC291962
0.6327 Remote Similarity NPC177684
0.6324 Remote Similarity NPC282895
0.6319 Remote Similarity NPC471196
0.6319 Remote Similarity NPC254798
0.6319 Remote Similarity NPC471195
0.631 Remote Similarity NPC153694
0.631 Remote Similarity NPC211525
0.6309 Remote Similarity NPC27581
0.6294 Remote Similarity NPC199737
0.629 Remote Similarity NPC141454
0.6287 Remote Similarity NPC114808
0.6286 Remote Similarity NPC303225
0.6284 Remote Similarity NPC258531
0.6284 Remote Similarity NPC161956
0.6284 Remote Similarity NPC138370
0.6284 Remote Similarity NPC112373
0.6279 Remote Similarity NPC127362
0.6276 Remote Similarity NPC160179
0.6276 Remote Similarity NPC222982
0.6276 Remote Similarity NPC197470
0.6275 Remote Similarity NPC197680
0.6275 Remote Similarity NPC259098
0.6264 Remote Similarity NPC221873
0.626 Remote Similarity NPC78154
0.6259 Remote Similarity NPC105899
0.6258 Remote Similarity NPC470579
0.6258 Remote Similarity NPC324445
0.625 Remote Similarity NPC84317
0.625 Remote Similarity NPC309808
0.6242 Remote Similarity NPC257490
0.6241 Remote Similarity NPC261181
0.6241 Remote Similarity NPC85493
0.6232 Remote Similarity NPC164859
0.6232 Remote Similarity NPC255676
0.6216 Remote Similarity NPC319950
0.6202 Remote Similarity NPC318107
0.6194 Remote Similarity NPC130398
0.6193 Remote Similarity NPC470548
0.6188 Remote Similarity NPC282103
0.6184 Remote Similarity NPC325013
0.6183 Remote Similarity NPC21483
0.6183 Remote Similarity NPC198205
0.6181 Remote Similarity NPC474584
0.6178 Remote Similarity NPC316104
0.6178 Remote Similarity NPC162417
0.6178 Remote Similarity NPC165599
0.6178 Remote Similarity NPC184437
0.6176 Remote Similarity NPC36495
0.6176 Remote Similarity NPC263709
0.6176 Remote Similarity NPC103250
0.6176 Remote Similarity NPC148468
0.6176 Remote Similarity NPC243673
0.6176 Remote Similarity NPC97380
0.6176 Remote Similarity NPC63210
0.6176 Remote Similarity NPC310403
0.6171 Remote Similarity NPC273532
0.617 Remote Similarity NPC311054
0.617 Remote Similarity NPC474916
0.617 Remote Similarity NPC112752
0.617 Remote Similarity NPC249811
0.6167 Remote Similarity NPC469831
0.6165 Remote Similarity NPC323164
0.6159 Remote Similarity NPC146370
0.6154 Remote Similarity NPC207428
0.6154 Remote Similarity NPC260818
0.6154 Remote Similarity NPC194040
0.615 Remote Similarity NPC108847

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC181527 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
0.7852 Intermediate Similarity NPD9272 Approved
0.7823 Intermediate Similarity NPD1625 Approved
0.7808 Intermediate Similarity NPD9477 Approved
0.7755 Intermediate Similarity NPD1189 Approved
0.7566 Intermediate Similarity NPD4888 Discontinued
0.7551 Intermediate Similarity NPD1626 Approved
0.7518 Intermediate Similarity NPD1593 Approved
0.7484 Intermediate Similarity NPD2360 Approved
0.7468 Intermediate Similarity NPD1230 Approved
0.7447 Intermediate Similarity NPD1574 Approved
0.741 Intermediate Similarity NPD9692 Approved
0.741 Intermediate Similarity NPD9693 Approved
0.7394 Intermediate Similarity NPD552 Approved
0.7394 Intermediate Similarity NPD9567 Approved
0.7394 Intermediate Similarity NPD553 Approved
0.7388 Intermediate Similarity NPD181 Approved
0.7278 Intermediate Similarity NPD2672 Discontinued
0.7235 Intermediate Similarity NPD6163 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD1514 Discontinued
0.7185 Intermediate Similarity NPD9508 Approved
0.7179 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD6414 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4311 Approved
0.7133 Intermediate Similarity NPD657 Approved
0.7133 Intermediate Similarity NPD655 Approved
0.7133 Intermediate Similarity NPD660 Approved
0.7133 Intermediate Similarity NPD661 Approved
0.7099 Intermediate Similarity NPD1210 Approved
0.7086 Intermediate Similarity NPD3170 Approved
0.7063 Intermediate Similarity NPD2836 Approved
0.703 Intermediate Similarity NPD2821 Approved
0.702 Intermediate Similarity NPD9279 Approved
0.7019 Intermediate Similarity NPD212 Discontinued
0.7013 Intermediate Similarity NPD1195 Approved
0.6993 Remote Similarity NPD9275 Approved
0.6993 Remote Similarity NPD9278 Suspended
0.6993 Remote Similarity NPD9276 Approved
0.6993 Remote Similarity NPD9274 Approved
0.6986 Remote Similarity NPD701 Approved
0.6986 Remote Similarity NPD698 Approved
0.6974 Remote Similarity NPD1109 Approved
0.6974 Remote Similarity NPD1110 Approved
0.6968 Remote Similarity NPD1196 Approved
0.6948 Remote Similarity NPD167 Phase 2
0.6948 Remote Similarity NPD168 Phase 1
0.6948 Remote Similarity NPD75 Approved
0.6948 Remote Similarity NPD9277 Approved
0.6939 Remote Similarity NPD659 Approved
0.6939 Remote Similarity NPD656 Approved
0.6939 Remote Similarity NPD662 Approved
0.6939 Remote Similarity NPD663 Approved
0.6939 Remote Similarity NPD658 Approved
0.6908 Remote Similarity NPD1532 Approved
0.6899 Remote Similarity NPD4161 Discontinued
0.6897 Remote Similarity NPD182 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6855 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6852 Remote Similarity NPD1208 Approved
0.6852 Remote Similarity NPD1211 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1543 Discontinued
0.6806 Remote Similarity NPD1079 Discontinued
0.68 Remote Similarity NPD9471 Clinical (unspecified phase)
0.6746 Remote Similarity NPD1165 Clinical (unspecified phase)
0.674 Remote Similarity NPD6161 Approved
0.674 Remote Similarity NPD6162 Approved
0.6728 Remote Similarity NPD5086 Approved
0.6711 Remote Similarity NPD1531 Approved
0.669 Remote Similarity NPD1236 Phase 3
0.6687 Remote Similarity NPD3684 Discontinued
0.6648 Remote Similarity NPD5042 Phase 1
0.6625 Remote Similarity NPD1802 Approved
0.6625 Remote Similarity NPD1801 Approved
0.6622 Remote Similarity NPD1036 Approved
0.6594 Remote Similarity NPD476 Approved
0.6584 Remote Similarity NPD1664 Clinical (unspecified phase)
0.6584 Remote Similarity NPD7528 Approved
0.6581 Remote Similarity NPD2670 Approved
0.6581 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6579 Remote Similarity NPD3502 Discovery
0.657 Remote Similarity NPD2359 Approved
0.6545 Remote Similarity NPD2366 Approved
0.6538 Remote Similarity NPD12 Approved
0.6538 Remote Similarity NPD700 Approved
0.6538 Remote Similarity NPD699 Approved
0.6538 Remote Similarity NPD13 Approved
0.6538 Remote Similarity NPD697 Approved
0.6532 Remote Similarity NPD2361 Approved
0.6512 Remote Similarity NPD9258 Approved
0.6512 Remote Similarity NPD9256 Approved
0.6497 Remote Similarity NPD7546 Discontinued
0.649 Remote Similarity NPD1781 Discontinued
0.648 Remote Similarity NPD4948 Discontinued
0.6479 Remote Similarity NPD1681 Approved
0.6479 Remote Similarity NPD1682 Approved
0.6479 Remote Similarity NPD1680 Approved
0.6467 Remote Similarity NPD797 Clinical (unspecified phase)
0.6467 Remote Similarity NPD9540 Approved
0.6452 Remote Similarity NPD2791 Discontinued
0.6452 Remote Similarity NPD1228 Phase 2
0.645 Remote Similarity NPD955 Approved
0.6437 Remote Similarity NPD2083 Clinical (unspecified phase)
0.6429 Remote Similarity NPD1541 Approved
0.6412 Remote Similarity NPD5430 Discontinued
0.6405 Remote Similarity NPD1619 Phase 3
0.6398 Remote Similarity NPD1518 Clinical (unspecified phase)
0.6395 Remote Similarity NPD2369 Discontinued
0.6386 Remote Similarity NPD1092 Approved
0.6386 Remote Similarity NPD1093 Approved
0.6376 Remote Similarity NPD964 Approved
0.6374 Remote Similarity NPD5077 Approved
0.6374 Remote Similarity NPD5076 Approved
0.6369 Remote Similarity NPD4214 Discontinued
0.6347 Remote Similarity NPD951 Approved
0.6346 Remote Similarity NPD2470 Clinical (unspecified phase)
0.634 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6335 Remote Similarity NPD2435 Approved
0.6333 Remote Similarity NPD9541 Approved
0.6333 Remote Similarity NPD9539 Approved
0.6328 Remote Similarity NPD5445 Approved
0.6323 Remote Similarity NPD1527 Phase 2
0.6319 Remote Similarity NPD1340 Discontinued
0.6312 Remote Similarity NPD2365 Approved
0.6301 Remote Similarity NPD9247 Phase 3
0.6299 Remote Similarity NPD486 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6017 Discontinued
0.6296 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6289 Remote Similarity NPD1205 Approved
0.6289 Remote Similarity NPD1209 Approved
0.6286 Remote Similarity NPD5466 Approved
0.6284 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6276 Remote Similarity NPD256 Approved
0.6276 Remote Similarity NPD255 Approved
0.6276 Remote Similarity NPD1348 Approved
0.6273 Remote Similarity NPD2820 Phase 3
0.6271 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6258 Remote Similarity NPD1919 Approved
0.6258 Remote Similarity NPD1920 Approved
0.6258 Remote Similarity NPD4041 Approved
0.625 Remote Similarity NPD7569 Approved
0.625 Remote Similarity NPD5937 Approved
0.625 Remote Similarity NPD3434 Clinical (unspecified phase)
0.625 Remote Similarity NPD7570 Approved
0.625 Remote Similarity NPD8146 Phase 2
0.625 Remote Similarity NPD6913 Approved
0.6243 Remote Similarity NPD2037 Approved
0.6243 Remote Similarity NPD2034 Discontinued
0.6243 Remote Similarity NPD2844 Phase 3
0.6241 Remote Similarity NPD1202 Approved
0.6241 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6233 Remote Similarity NPD733 Approved
0.6233 Remote Similarity NPD732 Approved
0.6225 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6223 Remote Similarity NPD1499 Phase 3
0.6215 Remote Similarity NPD3965 Phase 1
0.6213 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6211 Remote Similarity NPD2923 Approved
0.6207 Remote Similarity NPD1839 Phase 1
0.6202 Remote Similarity NPD9259 Approved
0.6202 Remote Similarity NPD9257 Approved
0.6199 Remote Similarity NPD738 Approved
0.6194 Remote Similarity NPD1069 Approved
0.6194 Remote Similarity NPD1070 Approved
0.6188 Remote Similarity NPD4707 Clinical (unspecified phase)
0.6184 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6182 Remote Similarity NPD979 Approved
0.618 Remote Similarity NPD3782 Discontinued
0.6178 Remote Similarity NPD5182 Approved
0.6178 Remote Similarity NPD5184 Approved
0.6178 Remote Similarity NPD5185 Approved
0.6173 Remote Similarity NPD4430 Phase 2
0.6173 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6171 Remote Similarity NPD3776 Discontinued
0.6171 Remote Similarity NPD1913 Phase 1
0.6167 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6163 Remote Similarity NPD1631 Approved
0.6146 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6145 Remote Similarity NPD4330 Approved
0.6145 Remote Similarity NPD5748 Phase 2
0.6145 Remote Similarity NPD4329 Approved
0.614 Remote Similarity NPD2506 Approved
0.6139 Remote Similarity NPD274 Approved
0.6139 Remote Similarity NPD275 Approved
0.6135 Remote Similarity NPD2387 Approved
0.6133 Remote Similarity NPD1123 Approved
0.6133 Remote Similarity NPD5923 Phase 1
0.6133 Remote Similarity NPD1124 Approved
0.6127 Remote Similarity NPD1168 Approved
0.6124 Remote Similarity NPD3792 Approved
0.6124 Remote Similarity NPD5498 Phase 2
0.6122 Remote Similarity NPD5416 Discontinued
0.6122 Remote Similarity NPD9568 Approved
0.6122 Remote Similarity NPD683 Approved
0.6121 Remote Similarity NPD1553 Approved
0.6118 Remote Similarity NPD3589 Clinical (unspecified phase)
0.6115 Remote Similarity NPD1594 Phase 3
0.6115 Remote Similarity NPD1595 Approved
0.6114 Remote Similarity NPD7795 Phase 2
0.6111 Remote Similarity NPD1908 Phase 2
0.6105 Remote Similarity NPD9487 Approved
0.6104 Remote Similarity NPD7904 Phase 2

Structure

External Identifiers

PubChem CID   50994063
ChEMBL   CHEMBL1669194
ZINC  

Physicochemical Properties

Molecular Weight:  222.06
ALogP:  -0.9957
MLogP:  1.9
XLogP:  3.269
# Rotatable Bonds:  7
Polar Surface Area:  98.99
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  16

Download Data

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