Natural Product: NPC178681

Natural Product ID:  NPC178681
Common Name:   Oxindole
IUPAC Name:   1,3-dihydroindol-2-one
Synonyms:  
Molecular Formula:   C8H7NO
Standard InCHIKey:  JYGFTBXVXVMTGB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Canonical SMILES:  OC1=Nc2c(C1)cccc2
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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO4582 Baphicacanthus cusia Species Acanthaceae Eukaryota TM-MC*
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota TM-MC*
NPO9069 Persicaria tinctoria Species Polygonaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT849 Organism Plutella xylostella Plutella xylostella LC50 = 4832.5 ppm 22447611
NPT2779 Organism Spodoptera exigua Spodoptera exigua IC50 = 32310 nM 22447611
NPT3966 Individual Protein Phenol oxidase Plutella xylostella IC50 = 51690 nM 22447611
NPT2 Others Unspecified IC50 = 46250 nM 22447611
NPT5013 Individual Protein Chymase Homo sapiens IC50 > 1000000 nM 23659209
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 135.5 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 69.5 ug/ml 24433962
NPT113 Cell Line RAW264.7 Mus musculus TC50 = 154.5 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 146.4 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 72.4 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 430.5 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 199 ug/ml 24433962
NPT113 Cell Line RAW264.7 Mus musculus TC50 = 125.8 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC95 = 447.4 ug/ml 24433962
NPT1021 Organism Leishmania infantum Leishmania infantum EC50 = 232.4 ug/ml 24433962

  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 NPC178681 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
0.8962 High Similarity NPC470550
0.8624 High Similarity NPC147957
0.8454 Intermediate Similarity NPC78154
0.844 Intermediate Similarity NPC205652
0.819 Intermediate Similarity NPC317758
0.802 Intermediate Similarity NPC476483
0.7963 Intermediate Similarity NPC37584
0.79 Intermediate Similarity NPC316108
0.7732 Intermediate Similarity NPC15839
0.7624 Intermediate Similarity NPC470877
0.7549 Intermediate Similarity NPC141139
0.7549 Intermediate Similarity NPC74936
0.7549 Intermediate Similarity NPC121872
0.7549 Intermediate Similarity NPC471307
0.7549 Intermediate Similarity NPC209764
0.7549 Intermediate Similarity NPC78041
0.7549 Intermediate Similarity NPC159178
0.7526 Intermediate Similarity NPC307456
0.748 Intermediate Similarity NPC259098
0.748 Intermediate Similarity NPC197680
0.7422 Intermediate Similarity NPC166667
0.7377 Intermediate Similarity NPC325013
0.7333 Intermediate Similarity NPC471309
0.7323 Intermediate Similarity NPC184437
0.728 Intermediate Similarity NPC226662
0.7245 Intermediate Similarity NPC192623
0.7143 Intermediate Similarity NPC226438
0.709 Intermediate Similarity NPC477890
0.7048 Intermediate Similarity NPC172128
0.7018 Intermediate Similarity NPC76327
0.6963 Remote Similarity NPC472103
0.696 Remote Similarity NPC474926
0.696 Remote Similarity NPC205946
0.6944 Remote Similarity NPC303045
0.6944 Remote Similarity NPC161972
0.6944 Remote Similarity NPC58674
0.6923 Remote Similarity NPC471638
0.6917 Remote Similarity NPC243162
0.6899 Remote Similarity NPC476689
0.6899 Remote Similarity NPC476687
0.6899 Remote Similarity NPC476685
0.6887 Remote Similarity NPC258627
0.6881 Remote Similarity NPC25565
0.6861 Remote Similarity NPC472100
0.6857 Remote Similarity NPC111233
0.6833 Remote Similarity NPC222982
0.6829 Remote Similarity NPC317564
0.6822 Remote Similarity NPC316746
0.6818 Remote Similarity NPC473501
0.6818 Remote Similarity NPC311242
0.6818 Remote Similarity NPC475439
0.6814 Remote Similarity NPC471317
0.6814 Remote Similarity NPC471310
0.681 Remote Similarity NPC164802
0.6807 Remote Similarity NPC296163
0.6807 Remote Similarity NPC187036
0.68 Remote Similarity NPC283130
0.68 Remote Similarity NPC328683
0.6797 Remote Similarity NPC101372
0.6769 Remote Similarity NPC313466
0.6763 Remote Similarity NPC300596
0.6763 Remote Similarity NPC237649
0.6762 Remote Similarity NPC262295
0.6762 Remote Similarity NPC198747
0.6762 Remote Similarity NPC473031
0.6759 Remote Similarity NPC108800
0.6752 Remote Similarity NPC255721
0.6721 Remote Similarity NPC192209
0.6718 Remote Similarity NPC324611
0.6698 Remote Similarity NPC12429
0.6698 Remote Similarity NPC325441
0.6698 Remote Similarity NPC30445
0.6695 Remote Similarity NPC9336
0.6694 Remote Similarity NPC130931
0.6694 Remote Similarity NPC288232
0.6667 Remote Similarity NPC245259
0.6667 Remote Similarity NPC278451
0.6667 Remote Similarity NPC202613
0.6667 Remote Similarity NPC229353
0.6642 Remote Similarity NPC60553
0.6636 Remote Similarity NPC176858
0.6633 Remote Similarity NPC66775
0.662 Remote Similarity NPC219383
0.6597 Remote Similarity NPC477889
0.6589 Remote Similarity NPC476950
0.6574 Remote Similarity NPC92689
0.6574 Remote Similarity NPC191444
0.6567 Remote Similarity NPC159589
0.6552 Remote Similarity NPC211551
0.6549 Remote Similarity NPC323726
0.6549 Remote Similarity NPC12730
0.6547 Remote Similarity NPC470824
0.6538 Remote Similarity NPC146703
0.6532 Remote Similarity NPC264580
0.6529 Remote Similarity NPC314141
0.6529 Remote Similarity NPC264782
0.6525 Remote Similarity NPC302790
0.6519 Remote Similarity NPC287358
0.6518 Remote Similarity NPC33168
0.6496 Remote Similarity NPC316202
0.6491 Remote Similarity NPC70201
0.6466 Remote Similarity NPC194390
0.6466 Remote Similarity NPC88267
0.6466 Remote Similarity NPC113326
0.6466 Remote Similarity NPC224610
0.6465 Remote Similarity NPC108218
0.6462 Remote Similarity NPC478079
0.6455 Remote Similarity NPC265521
0.6454 Remote Similarity NPC254798
0.6449 Remote Similarity NPC477155
0.6449 Remote Similarity NPC470090
0.6441 Remote Similarity NPC172170
0.6438 Remote Similarity NPC211525
0.6438 Remote Similarity NPC153694
0.6429 Remote Similarity NPC150323
0.6403 Remote Similarity NPC314287
0.64 Remote Similarity NPC189371
0.6397 Remote Similarity NPC122553
0.6397 Remote Similarity NPC126637
0.6395 Remote Similarity NPC243673
0.6395 Remote Similarity NPC263709
0.6395 Remote Similarity NPC148468
0.6395 Remote Similarity NPC63210
0.6395 Remote Similarity NPC97380
0.6395 Remote Similarity NPC310403
0.6389 Remote Similarity NPC184161
0.6383 Remote Similarity NPC259678
0.6379 Remote Similarity NPC178902
0.6379 Remote Similarity NPC164859
0.6377 Remote Similarity NPC314113
0.6376 Remote Similarity NPC476118
0.637 Remote Similarity NPC477157
0.637 Remote Similarity NPC477156
0.6364 Remote Similarity NPC288445
0.6364 Remote Similarity NPC314431
0.6356 Remote Similarity NPC327481
0.6356 Remote Similarity NPC231705
0.6355 Remote Similarity NPC203076
0.6351 Remote Similarity NPC235628
0.635 Remote Similarity NPC181527
0.6336 Remote Similarity NPC72473
0.6336 Remote Similarity NPC58827
0.6336 Remote Similarity NPC307437
0.6333 Remote Similarity NPC470127
0.6333 Remote Similarity NPC258056
0.633 Remote Similarity NPC173991
0.6327 Remote Similarity NPC271732
0.632 Remote Similarity NPC148140
0.6312 Remote Similarity NPC116519
0.6309 Remote Similarity NPC476231
0.6309 Remote Similarity NPC472121
0.6306 Remote Similarity NPC323164
0.6304 Remote Similarity NPC472243
0.63 Remote Similarity NPC299134
0.6299 Remote Similarity NPC471308
0.6299 Remote Similarity NPC160120
0.6299 Remote Similarity NPC289330
0.6299 Remote Similarity NPC53596
0.6299 Remote Similarity NPC17388
0.6296 Remote Similarity NPC253476
0.629 Remote Similarity NPC188010
0.6284 Remote Similarity NPC230869
0.6283 Remote Similarity NPC3371
0.6281 Remote Similarity NPC474149
0.627 Remote Similarity NPC81561
0.6263 Remote Similarity NPC208302
0.6261 Remote Similarity NPC75496
0.626 Remote Similarity NPC250476
0.6259 Remote Similarity NPC10875
0.6259 Remote Similarity NPC10730
0.6259 Remote Similarity NPC141353
0.625 Remote Similarity NPC153690
0.625 Remote Similarity NPC469462
0.6242 Remote Similarity NPC131718
0.6241 Remote Similarity NPC323798
0.6241 Remote Similarity NPC477432
0.6239 Remote Similarity NPC311660
0.6231 Remote Similarity NPC226794
0.6225 Remote Similarity NPC52059
0.6225 Remote Similarity NPC470069
0.622 Remote Similarity NPC162689
0.622 Remote Similarity NPC54102
0.6214 Remote Similarity NPC224544
0.6214 Remote Similarity NPC472241
0.621 Remote Similarity NPC118202
0.621 Remote Similarity NPC471318
0.6209 Remote Similarity NPC477888
0.6207 Remote Similarity NPC228400
0.6207 Remote Similarity NPC214200
0.6207 Remote Similarity NPC469457
0.6195 Remote Similarity NPC20142
0.6195 Remote Similarity NPC215351
0.6194 Remote Similarity NPC314098
0.619 Remote Similarity NPC161827
0.619 Remote Similarity NPC313449
0.6187 Remote Similarity NPC315051
0.6186 Remote Similarity NPC256838
0.6184 Remote Similarity NPC278887
0.6174 Remote Similarity NPC107619
0.6174 Remote Similarity NPC290515

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC178681 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
0.8559 High Similarity NPD2210 Approved
0.8559 High Similarity NPD2212 Approved
0.802 Intermediate Similarity NPD1394 Approved
0.7928 Intermediate Similarity NPD181 Approved
0.7593 Intermediate Similarity NPD1542 Approved
0.7573 Intermediate Similarity NPD6690 Approved
0.75 Intermediate Similarity NPD1540 Approved
0.75 Intermediate Similarity NPD1108 Approved
0.75 Intermediate Similarity NPD1107 Approved
0.7456 Intermediate Similarity NPD1764 Approved
0.7456 Intermediate Similarity NPD1762 Approved
0.7455 Intermediate Similarity NPD564 Approved
0.7455 Intermediate Similarity NPD563 Approved
0.7414 Intermediate Similarity NPD2622 Approved
0.7411 Intermediate Similarity NPD2679 Approved
0.7411 Intermediate Similarity NPD2678 Approved
0.7391 Intermediate Similarity NPD2658 Approved
0.7391 Intermediate Similarity NPD3148 Approved
0.7391 Intermediate Similarity NPD2659 Approved
0.7391 Intermediate Similarity NPD3147 Approved
0.7391 Intermediate Similarity NPD3150 Approved
0.7391 Intermediate Similarity NPD3149 Approved
0.7339 Intermediate Similarity NPD4895 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD1419 Approved
0.7339 Intermediate Similarity NPD1417 Approved
0.7273 Intermediate Similarity NPD2244 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD456 Approved
0.7143 Intermediate Similarity NPD9247 Phase 3
0.7143 Intermediate Similarity NPD1592 Phase 3
0.7105 Intermediate Similarity NPD7156 Discontinued
0.7103 Intermediate Similarity NPD665 Phase 2
0.7094 Intermediate Similarity NPD1680 Approved
0.7094 Intermediate Similarity NPD1682 Approved
0.7094 Intermediate Similarity NPD1681 Approved
0.7087 Intermediate Similarity NPD9538 Approved
0.7063 Intermediate Similarity NPD9701 Discontinued
0.704 Intermediate Similarity NPD1593 Approved
0.7037 Intermediate Similarity NPD5595 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD5631 Phase 3
0.7018 Intermediate Similarity NPD9507 Approved
0.7018 Intermediate Similarity NPD2243 Clinical (unspecified phase)
0.6963 Remote Similarity NPD6506 Clinical (unspecified phase)
0.696 Remote Similarity NPD1036 Approved
0.6953 Remote Similarity NPD1001 Discontinued
0.6923 Remote Similarity NPD187 Approved
0.6916 Remote Similarity NPD1812 Approved
0.6916 Remote Similarity NPD1814 Approved
0.6911 Remote Similarity NPD1236 Phase 3
0.6899 Remote Similarity NPD2322 Discovery
0.686 Remote Similarity NPD457 Approved
0.6829 Remote Similarity NPD1525 Approved
0.6822 Remote Similarity NPD530 Approved
0.681 Remote Similarity NPD477 Phase 1
0.6807 Remote Similarity NPD23 Approved
0.68 Remote Similarity NPD478 Approved
0.68 Remote Similarity NPD964 Approved
0.6797 Remote Similarity NPD995 Clinical (unspecified phase)
0.6777 Remote Similarity NPD1841 Clinical (unspecified phase)
0.6774 Remote Similarity NPD9693 Approved
0.6774 Remote Similarity NPD9692 Approved
0.6774 Remote Similarity NPD5770 Phase 3
0.6744 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6738 Remote Similarity NPD950 Clinical (unspecified phase)
0.6721 Remote Similarity NPD1837 Clinical (unspecified phase)
0.6719 Remote Similarity NPD7904 Phase 2
0.6718 Remote Similarity NPD1595 Approved
0.6718 Remote Similarity NPD1594 Phase 3
0.6698 Remote Similarity NPD1101 Approved
0.6697 Remote Similarity NPD1080 Approved
0.6696 Remote Similarity NPD999 Phase 2
0.6694 Remote Similarity NPD224 Phase 2
0.6667 Remote Similarity NPD3329 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1498 Approved
0.6642 Remote Similarity NPD6301 Phase 2
0.6639 Remote Similarity NPD1344 Phase 2
0.6638 Remote Similarity NPD990 Approved
0.6638 Remote Similarity NPD993 Approved
0.6637 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6618 Remote Similarity NPD6789 Approved
0.661 Remote Similarity NPD1539 Approved
0.6606 Remote Similarity NPD752 Approved
0.6591 Remote Similarity NPD1316 Discontinued
0.6573 Remote Similarity NPD5811 Approved
0.6567 Remote Similarity NPD471 Approved
0.6562 Remote Similarity NPD1574 Approved
0.6562 Remote Similarity NPD6320 Approved
0.6562 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6552 Remote Similarity NPD1040 Phase 2
0.6545 Remote Similarity NPD720 Approved
0.6545 Remote Similarity NPD719 Approved
0.6541 Remote Similarity NPD7200 Approved
0.6541 Remote Similarity NPD1106 Discontinued
0.6525 Remote Similarity NPD5881 Clinical (unspecified phase)
0.6525 Remote Similarity NPD476 Approved
0.6519 Remote Similarity NPD3864 Clinical (unspecified phase)
0.6507 Remote Similarity NPD1554 Clinical (unspecified phase)
0.6504 Remote Similarity NPD732 Approved
0.6504 Remote Similarity NPD733 Approved
0.6503 Remote Similarity NPD2188 Approved
0.6496 Remote Similarity NPD9477 Approved
0.6496 Remote Similarity NPD1064 Approved
0.6496 Remote Similarity NPD1065 Approved
0.6493 Remote Similarity NPD2470 Clinical (unspecified phase)
0.6493 Remote Similarity NPD1228 Phase 2
0.6483 Remote Similarity NPD2789 Approved
0.6466 Remote Similarity NPD179 Clinical (unspecified phase)
0.6462 Remote Similarity NPD1516 Approved
0.6446 Remote Similarity NPD4165 Phase 2
0.6446 Remote Similarity NPD3066 Phase 2
0.6441 Remote Similarity NPD6299 Approved
0.6441 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6441 Remote Similarity NPD6300 Approved
0.6439 Remote Similarity NPD4274 Approved
0.6439 Remote Similarity NPD3720 Discontinued
0.6439 Remote Similarity NPD4275 Approved
0.6435 Remote Similarity NPD4119 Approved
0.6429 Remote Similarity NPD9272 Approved
0.6429 Remote Similarity NPD2507 Clinical (unspecified phase)
0.6423 Remote Similarity NPD6522 Clinical (unspecified phase)
0.6423 Remote Similarity NPD9342 Approved
0.6423 Remote Similarity NPD6606 Clinical (unspecified phase)
0.641 Remote Similarity NPD5717 Approved
0.6406 Remote Similarity NPD1360 Approved
0.64 Remote Similarity NPD1216 Clinical (unspecified phase)
0.6396 Remote Similarity NPD1409 Phase 3
0.6389 Remote Similarity NPD6158 Phase 2
0.6389 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6376 Remote Similarity NPD5140 Approved
0.6376 Remote Similarity NPD5138 Approved
0.6372 Remote Similarity NPD1875 Phase 1
0.6372 Remote Similarity NPD2487 Clinical (unspecified phase)
0.6351 Remote Similarity NPD5599 Discontinued
0.635 Remote Similarity NPD1169 Approved
0.6339 Remote Similarity NPD4814 Discontinued
0.6333 Remote Similarity NPD9713 Approved
0.6331 Remote Similarity NPD1908 Phase 2
0.632 Remote Similarity NPD254 Approved
0.6316 Remote Similarity NPD4857 Phase 1
0.6316 Remote Similarity NPD1500 Approved
0.6312 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6308 Remote Similarity NPD6325 Discontinued
0.6306 Remote Similarity NPD159 Clinical (unspecified phase)
0.6304 Remote Similarity NPD1205 Approved
0.6304 Remote Similarity NPD989 Approved
0.6304 Remote Similarity NPD1209 Approved
0.6301 Remote Similarity NPD5617 Suspended
0.6293 Remote Similarity NPD9722 Approved
0.6293 Remote Similarity NPD9721 Approved
0.6281 Remote Similarity NPD9376 Approved
0.6279 Remote Similarity NPD7461 Approved
0.6279 Remote Similarity NPD3623 Clinical (unspecified phase)
0.6279 Remote Similarity NPD3622 Clinical (unspecified phase)
0.6276 Remote Similarity NPD6707 Clinical (unspecified phase)
0.6276 Remote Similarity NPD2882 Phase 1
0.6271 Remote Similarity NPD156 Phase 3
0.6271 Remote Similarity NPD1018 Approved
0.627 Remote Similarity NPD18 Approved
0.6269 Remote Similarity NPD865 Approved
0.6269 Remote Similarity NPD1502 Approved
0.6269 Remote Similarity NPD864 Approved
0.6268 Remote Similarity NPD5414 Phase 2
0.626 Remote Similarity NPD14 Approved
0.626 Remote Similarity NPD731 Approved
0.6259 Remote Similarity NPD1477 Approved
0.625 Remote Similarity NPD2791 Discontinued
0.625 Remote Similarity NPD1859 Approved
0.625 Remote Similarity NPD2844 Phase 3
0.625 Remote Similarity NPD1066 Discontinued
0.625 Remote Similarity NPD1079 Discontinued
0.624 Remote Similarity NPD2463 Approved
0.624 Remote Similarity NPD2464 Approved
0.624 Remote Similarity NPD1596 Approved
0.624 Remote Similarity NPD2467 Approved
0.624 Remote Similarity NPD6660 Discontinued
0.6224 Remote Similarity NPD3359 Clinical (unspecified phase)
0.622 Remote Similarity NPD1479 Clinical (unspecified phase)
0.622 Remote Similarity NPD1922 Discontinued
0.6218 Remote Similarity NPD3546 Approved
0.6218 Remote Similarity NPD3545 Approved
0.621 Remote Similarity NPD1813 Discontinued
0.6195 Remote Similarity NPD3772 Phase 3
0.6195 Remote Similarity NPD1081 Clinical (unspecified phase)
0.619 Remote Similarity NPD7480 Approved
0.619 Remote Similarity NPD7481 Approved
0.6184 Remote Similarity NPD1850 Phase 3
0.6181 Remote Similarity NPD4703 Approved
0.6181 Remote Similarity NPD1664 Clinical (unspecified phase)
0.6181 Remote Similarity NPD4432 Discontinued
0.6181 Remote Similarity NPD979 Approved
0.6181 Remote Similarity NPD4702 Approved
0.6174 Remote Similarity NPD9611 Approved
0.6174 Remote Similarity NPD9609 Approved
0.6174 Remote Similarity NPD9710 Approved
0.6174 Remote Similarity NPD9612 Approved
0.6174 Remote Similarity NPD4117 Approved
0.6174 Remote Similarity NPD9711 Approved
0.6172 Remote Similarity NPD2340 Discontinued
0.6167 Remote Similarity NPD4115 Approved
0.6167 Remote Similarity NPD4114 Approved
0.6165 Remote Similarity NPD973 Discontinued

Structure

External Identifiers

PubChem CID   321710
ChEMBL   CHEMBL40823
ZINC  

Physicochemical Properties

Molecular Weight:  133.05
ALogP:  -0.0468
MLogP:  2.12
XLogP:  2.149
# Rotatable Bonds:  1
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  10

Download Data

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