Natural Product: NPC470550

Natural Product ID:  NPC470550
Common Name:   (+/-)-2-(2-Oxoindolin-3-Yl)Acetamide
IUPAC Name:   2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
Synonyms:  
Molecular Formula:   C10H10N2O2
Standard InCHIKey:  YLXMGRTUPUJSOT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H10N2O2/c11-9(13)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,7H,5H2,(H2,11,13)(H,12,14)
Canonical SMILES:  OC(=N)CC1C(=Nc2c1cccc2)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
NPO31050 Isatis indigotica Species Brassicaceae Eukaryota Roots Anhui, China PMID[22694318]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3119 Organism Human coxsackievirus B3 Human coxsackievirus B3 IC50 = 6870 nM 21420859

  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 NPC470550 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
0.945 High Similarity NPC205652
0.8962 High Similarity NPC178681
0.8655 High Similarity NPC317758
0.8291 Intermediate Similarity NPC147957
0.8 Intermediate Similarity NPC166667
0.7826 Intermediate Similarity NPC37584
0.7757 Intermediate Similarity NPC78154
0.7706 Intermediate Similarity NPC476483
0.7656 Intermediate Similarity NPC197680
0.7656 Intermediate Similarity NPC259098
0.7647 Intermediate Similarity NPC472103
0.7431 Intermediate Similarity NPC316108
0.7422 Intermediate Similarity NPC474926
0.7422 Intermediate Similarity NPC325013
0.7286 Intermediate Similarity NPC472100
0.7226 Intermediate Similarity NPC243162
0.7121 Intermediate Similarity NPC101372
0.7103 Intermediate Similarity NPC15839
0.7034 Intermediate Similarity NPC219383
0.7027 Intermediate Similarity NPC470877
0.7015 Intermediate Similarity NPC316746
0.6985 Remote Similarity NPC184437
0.6981 Remote Similarity NPC192623
0.6964 Remote Similarity NPC74936
0.6964 Remote Similarity NPC471307
0.6964 Remote Similarity NPC141139
0.6964 Remote Similarity NPC209764
0.6964 Remote Similarity NPC121872
0.6964 Remote Similarity NPC78041
0.6964 Remote Similarity NPC159178
0.6963 Remote Similarity NPC476685
0.6963 Remote Similarity NPC476687
0.6963 Remote Similarity NPC476689
0.694 Remote Similarity NPC226662
0.6933 Remote Similarity NPC472121
0.6916 Remote Similarity NPC307456
0.6903 Remote Similarity NPC226438
0.6894 Remote Similarity NPC205946
0.687 Remote Similarity NPC161972
0.687 Remote Similarity NPC303045
0.6846 Remote Similarity NPC153694
0.6846 Remote Similarity NPC211525
0.6828 Remote Similarity NPC300596
0.6828 Remote Similarity NPC237649
0.6814 Remote Similarity NPC191444
0.6814 Remote Similarity NPC172128
0.681 Remote Similarity NPC25565
0.6809 Remote Similarity NPC316202
0.68 Remote Similarity NPC97380
0.68 Remote Similarity NPC148468
0.68 Remote Similarity NPC63210
0.68 Remote Similarity NPC263709
0.68 Remote Similarity NPC243673
0.68 Remote Similarity NPC310403
0.6786 Remote Similarity NPC111233
0.6786 Remote Similarity NPC30445
0.6783 Remote Similarity NPC471309
0.6783 Remote Similarity NPC477890
0.6779 Remote Similarity NPC477156
0.6779 Remote Similarity NPC477157
0.6761 Remote Similarity NPC477155
0.6752 Remote Similarity NPC473501
0.6752 Remote Similarity NPC475439
0.6726 Remote Similarity NPC176858
0.6713 Remote Similarity NPC314287
0.6696 Remote Similarity NPC108800
0.6696 Remote Similarity NPC471638
0.6696 Remote Similarity NPC262295
0.6689 Remote Similarity NPC184161
0.6667 Remote Similarity NPC76327
0.6667 Remote Similarity NPC192209
0.6667 Remote Similarity NPC141353
0.6645 Remote Similarity NPC469462
0.6643 Remote Similarity NPC159589
0.6641 Remote Similarity NPC317564
0.6641 Remote Similarity NPC222982
0.664 Remote Similarity NPC9336
0.6623 Remote Similarity NPC470069
0.6623 Remote Similarity NPC52059
0.6621 Remote Similarity NPC116519
0.6618 Remote Similarity NPC278451
0.6615 Remote Similarity NPC264580
0.6614 Remote Similarity NPC187036
0.6613 Remote Similarity NPC302790
0.661 Remote Similarity NPC311242
0.66 Remote Similarity NPC161827
0.6596 Remote Similarity NPC287358
0.6585 Remote Similarity NPC327481
0.6581 Remote Similarity NPC278887
0.6581 Remote Similarity NPC58674
0.6579 Remote Similarity NPC230869
0.6558 Remote Similarity NPC476118
0.6557 Remote Similarity NPC194390
0.6557 Remote Similarity NPC113326
0.6557 Remote Similarity NPC88267
0.6557 Remote Similarity NPC224610
0.6556 Remote Similarity NPC285469
0.6544 Remote Similarity NPC478079
0.6538 Remote Similarity NPC317430
0.6536 Remote Similarity NPC143457
0.6522 Remote Similarity NPC92689
0.6522 Remote Similarity NPC258627
0.6515 Remote Similarity NPC130931
0.6515 Remote Similarity NPC150323
0.6503 Remote Similarity NPC472243
0.6493 Remote Similarity NPC283130
0.6493 Remote Similarity NPC328683
0.6489 Remote Similarity NPC229353
0.6484 Remote Similarity NPC314141
0.6484 Remote Similarity NPC296163
0.648 Remote Similarity NPC164802
0.6475 Remote Similarity NPC471317
0.6475 Remote Similarity NPC313466
0.6475 Remote Similarity NPC164859
0.6471 Remote Similarity NPC291359
0.6466 Remote Similarity NPC245259
0.6463 Remote Similarity NPC259678
0.6449 Remote Similarity NPC314431
0.6447 Remote Similarity NPC10875
0.6447 Remote Similarity NPC477889
0.6447 Remote Similarity NPC10730
0.6434 Remote Similarity NPC181527
0.6429 Remote Similarity NPC255721
0.6429 Remote Similarity NPC68650
0.6429 Remote Similarity NPC131718
0.6429 Remote Similarity NPC324611
0.6429 Remote Similarity NPC477158
0.6423 Remote Similarity NPC58827
0.6423 Remote Similarity NPC72473
0.6423 Remote Similarity NPC307437
0.6419 Remote Similarity NPC254798
0.6415 Remote Similarity NPC181138
0.6415 Remote Similarity NPC210415
0.6415 Remote Similarity NPC276993
0.6415 Remote Similarity NPC298851
0.6415 Remote Similarity NPC293255
0.6415 Remote Similarity NPC21752
0.6414 Remote Similarity NPC470090
0.6414 Remote Similarity NPC472241
0.6397 Remote Similarity NPC472414
0.6395 Remote Similarity NPC470824
0.6387 Remote Similarity NPC476231
0.6387 Remote Similarity NPC16667
0.6385 Remote Similarity NPC288232
0.6382 Remote Similarity NPC207726
0.6382 Remote Similarity NPC473297
0.637 Remote Similarity NPC60553
0.6369 Remote Similarity NPC19555
0.6364 Remote Similarity NPC163421
0.6364 Remote Similarity NPC188387
0.6364 Remote Similarity NPC122553
0.6364 Remote Similarity NPC469461
0.6351 Remote Similarity NPC264589
0.635 Remote Similarity NPC278097
0.6348 Remote Similarity NPC325441
0.6341 Remote Similarity NPC471310
0.6341 Remote Similarity NPC202613
0.6333 Remote Similarity NPC288445
0.6333 Remote Similarity NPC33168
0.6328 Remote Similarity NPC329011
0.6323 Remote Similarity NPC279918
0.6316 Remote Similarity NPC25008
0.6316 Remote Similarity NPC469786
0.6316 Remote Similarity NPC259644
0.6316 Remote Similarity NPC469760
0.6316 Remote Similarity NPC469763
0.6316 Remote Similarity NPC73952
0.6316 Remote Similarity NPC469765
0.6311 Remote Similarity NPC469457
0.6304 Remote Similarity NPC476950
0.6303 Remote Similarity NPC245741
0.6299 Remote Similarity NPC469762
0.6299 Remote Similarity NPC470127
0.6294 Remote Similarity NPC475707
0.6293 Remote Similarity NPC173991
0.6289 Remote Similarity NPC257354
0.6289 Remote Similarity NPC126481
0.6284 Remote Similarity NPC472242
0.6282 Remote Similarity NPC315214
0.6282 Remote Similarity NPC47298
0.6282 Remote Similarity NPC282231
0.6282 Remote Similarity NPC85651
0.6279 Remote Similarity NPC474584
0.6275 Remote Similarity NPC80597
0.6275 Remote Similarity NPC212376
0.6275 Remote Similarity NPC70922
0.6275 Remote Similarity NPC211572
0.6275 Remote Similarity NPC75540
0.6273 Remote Similarity NPC13367
0.627 Remote Similarity NPC172170
0.6268 Remote Similarity NPC253476
0.6266 Remote Similarity NPC160105
0.6266 Remote Similarity NPC49954
0.6266 Remote Similarity NPC474561
0.6261 Remote Similarity NPC198747
0.6261 Remote Similarity NPC473031
0.626 Remote Similarity NPC101139
0.626 Remote Similarity NPC188010
0.6259 Remote Similarity NPC295478
0.6259 Remote Similarity NPC71271

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470550 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
0.8235 Intermediate Similarity NPD2212 Approved
0.8235 Intermediate Similarity NPD2210 Approved
0.7706 Intermediate Similarity NPD1394 Approved
0.7632 Intermediate Similarity NPD1542 Approved
0.7544 Intermediate Similarity NPD1540 Approved
0.75 Intermediate Similarity NPD181 Approved
0.75 Intermediate Similarity NPD563 Approved
0.75 Intermediate Similarity NPD564 Approved
0.7422 Intermediate Similarity NPD1036 Approved
0.7395 Intermediate Similarity NPD1107 Approved
0.7395 Intermediate Similarity NPD1108 Approved
0.7385 Intermediate Similarity NPD4895 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD530 Approved
0.7231 Intermediate Similarity NPD1593 Approved
0.7213 Intermediate Similarity NPD1762 Approved
0.7213 Intermediate Similarity NPD1764 Approved
0.7177 Intermediate Similarity NPD2622 Approved
0.7167 Intermediate Similarity NPD2679 Approved
0.7167 Intermediate Similarity NPD2678 Approved
0.7156 Intermediate Similarity NPD9538 Approved
0.7154 Intermediate Similarity NPD3148 Approved
0.7154 Intermediate Similarity NPD3149 Approved
0.7154 Intermediate Similarity NPD3150 Approved
0.7154 Intermediate Similarity NPD456 Approved
0.7154 Intermediate Similarity NPD3147 Approved
0.7154 Intermediate Similarity NPD2658 Approved
0.7154 Intermediate Similarity NPD2659 Approved
0.7143 Intermediate Similarity NPD6506 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD995 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD1236 Phase 3
0.7094 Intermediate Similarity NPD1419 Approved
0.7094 Intermediate Similarity NPD1417 Approved
0.709 Intermediate Similarity NPD2322 Discovery
0.7083 Intermediate Similarity NPD2243 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD1592 Phase 3
0.7063 Intermediate Similarity NPD9247 Phase 3
0.7034 Intermediate Similarity NPD2244 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7156 Discontinued
0.7018 Intermediate Similarity NPD665 Phase 2
0.7016 Intermediate Similarity NPD1680 Approved
0.7016 Intermediate Similarity NPD1682 Approved
0.7016 Intermediate Similarity NPD1681 Approved
0.7009 Intermediate Similarity NPD4760 Clinical (unspecified phase)
0.6992 Remote Similarity NPD9701 Discontinued
0.6991 Remote Similarity NPD6690 Approved
0.6972 Remote Similarity NPD5595 Clinical (unspecified phase)
0.694 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6917 Remote Similarity NPD7904 Phase 2
0.6912 Remote Similarity NPD1595 Approved
0.6912 Remote Similarity NPD1594 Phase 3
0.6889 Remote Similarity NPD1001 Discontinued
0.687 Remote Similarity NPD964 Approved
0.685 Remote Similarity NPD1841 Clinical (unspecified phase)
0.6849 Remote Similarity NPD3329 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1814 Approved
0.6842 Remote Similarity NPD1812 Approved
0.6835 Remote Similarity NPD3864 Clinical (unspecified phase)
0.6831 Remote Similarity NPD6301 Phase 2
0.6825 Remote Similarity NPD5631 Phase 3
0.6812 Remote Similarity NPD2470 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6789 Approved
0.6803 Remote Similarity NPD2188 Approved
0.6797 Remote Similarity NPD1837 Clinical (unspecified phase)
0.6788 Remote Similarity NPD1316 Discontinued
0.6786 Remote Similarity NPD1101 Approved
0.6769 Remote Similarity NPD1525 Approved
0.6767 Remote Similarity NPD6325 Discontinued
0.6767 Remote Similarity NPD6320 Approved
0.6765 Remote Similarity NPD3720 Discontinued
0.6765 Remote Similarity NPD4274 Approved
0.6765 Remote Similarity NPD4275 Approved
0.6748 Remote Similarity NPD476 Approved
0.6746 Remote Similarity NPD23 Approved
0.6744 Remote Similarity NPD1216 Clinical (unspecified phase)
0.6739 Remote Similarity NPD1106 Discontinued
0.6721 Remote Similarity NPD990 Approved
0.6721 Remote Similarity NPD993 Approved
0.6718 Remote Similarity NPD5770 Phase 3
0.6712 Remote Similarity NPD5881 Clinical (unspecified phase)
0.6696 Remote Similarity NPD752 Approved
0.6692 Remote Similarity NPD1922 Discontinued
0.6667 Remote Similarity NPD2789 Approved
0.6667 Remote Similarity NPD9507 Approved
0.6667 Remote Similarity NPD4119 Approved
0.6667 Remote Similarity NPD2507 Clinical (unspecified phase)
0.6667 Remote Similarity NPD457 Approved
0.6645 Remote Similarity NPD2844 Phase 3
0.6643 Remote Similarity NPD471 Approved
0.6642 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6642 Remote Similarity NPD1574 Approved
0.6641 Remote Similarity NPD224 Phase 2
0.6639 Remote Similarity NPD1040 Phase 2
0.6639 Remote Similarity NPD5717 Approved
0.6639 Remote Similarity NPD999 Phase 2
0.6638 Remote Similarity NPD720 Approved
0.6638 Remote Similarity NPD719 Approved
0.6619 Remote Similarity NPD7200 Approved
0.66 Remote Similarity NPD5617 Suspended
0.6594 Remote Similarity NPD864 Approved
0.6594 Remote Similarity NPD865 Approved
0.6589 Remote Similarity NPD1344 Phase 2
0.6577 Remote Similarity NPD950 Clinical (unspecified phase)
0.6573 Remote Similarity NPD9477 Approved
0.6565 Remote Similarity NPD1479 Clinical (unspecified phase)
0.656 Remote Similarity NPD1539 Approved
0.6558 Remote Similarity NPD5140 Approved
0.6558 Remote Similarity NPD5138 Approved
0.6536 Remote Similarity NPD5599 Discontinued
0.6535 Remote Similarity NPD3066 Phase 2
0.6535 Remote Similarity NPD4165 Phase 2
0.6533 Remote Similarity NPD5811 Approved
0.6532 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4857 Phase 1
0.6515 Remote Similarity NPD9272 Approved
0.6503 Remote Similarity NPD6606 Clinical (unspecified phase)
0.6503 Remote Similarity NPD6522 Clinical (unspecified phase)
0.6496 Remote Similarity NPD1409 Phase 3
0.6496 Remote Similarity NPD1080 Approved
0.6493 Remote Similarity NPD1498 Approved
0.6493 Remote Similarity NPD478 Approved
0.6491 Remote Similarity NPD531 Approved
0.6486 Remote Similarity NPD979 Approved
0.648 Remote Similarity NPD477 Phase 1
0.6474 Remote Similarity NPD1850 Phase 3
0.6471 Remote Similarity NPD6900 Discontinued
0.6471 Remote Similarity NPD1554 Clinical (unspecified phase)
0.6471 Remote Similarity NPD1875 Phase 1
0.6471 Remote Similarity NPD4860 Clinical (unspecified phase)
0.6454 Remote Similarity NPD1228 Phase 2
0.6442 Remote Similarity NPD7252 Clinical (unspecified phase)
0.6441 Remote Similarity NPD4814 Discontinued
0.6429 Remote Similarity NPD9713 Approved
0.6429 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6423 Remote Similarity NPD1516 Approved
0.6423 Remote Similarity NPD179 Clinical (unspecified phase)
0.6418 Remote Similarity NPD2173 Clinical (unspecified phase)
0.6417 Remote Similarity NPD4117 Approved
0.6414 Remote Similarity NPD1908 Phase 2
0.6404 Remote Similarity NPD187 Approved
0.6395 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5716 Approved
0.6389 Remote Similarity NPD989 Approved
0.6387 Remote Similarity NPD972 Clinical (unspecified phase)
0.6376 Remote Similarity NPD4702 Approved
0.6376 Remote Similarity NPD4703 Approved
0.6371 Remote Similarity NPD1018 Approved
0.637 Remote Similarity NPD7461 Approved
0.6358 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6358 Remote Similarity NPD6707 Clinical (unspecified phase)
0.6358 Remote Similarity NPD6158 Phase 2
0.6345 Remote Similarity NPD1477 Approved
0.6343 Remote Similarity NPD1079 Discontinued
0.6343 Remote Similarity NPD9692 Approved
0.6343 Remote Similarity NPD9693 Approved
0.6336 Remote Similarity NPD732 Approved
0.6336 Remote Similarity NPD733 Approved
0.6336 Remote Similarity NPD1596 Approved
0.6333 Remote Similarity NPD2487 Clinical (unspecified phase)
0.6328 Remote Similarity NPD2038 Approved
0.6328 Remote Similarity NPD2039 Approved
0.6327 Remote Similarity NPD2387 Approved
0.6316 Remote Similarity NPD4121 Phase 3
0.6316 Remote Similarity NPD4120 Approved
0.6308 Remote Similarity NPD1813 Discontinued
0.6303 Remote Similarity NPD3772 Phase 3
0.6289 Remote Similarity NPD1325 Approved
0.6289 Remote Similarity NPD1326 Approved
0.6289 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6286 Remote Similarity NPD1500 Approved
0.6282 Remote Similarity NPD1685 Approved
0.6282 Remote Similarity NPD1684 Approved
0.6281 Remote Similarity NPD253 Approved
0.6276 Remote Similarity NPD1205 Approved
0.6276 Remote Similarity NPD1209 Approved
0.6276 Remote Similarity NPD4707 Clinical (unspecified phase)
0.6275 Remote Similarity NPD5742 Approved
0.6275 Remote Similarity NPD5743 Approved
0.6275 Remote Similarity NPD5741 Approved
0.6271 Remote Similarity NPD159 Clinical (unspecified phase)
0.627 Remote Similarity NPD6300 Approved
0.627 Remote Similarity NPD6299 Approved
0.6268 Remote Similarity NPD5182 Approved
0.6268 Remote Similarity NPD5184 Approved
0.6268 Remote Similarity NPD5185 Approved
0.6267 Remote Similarity NPD1664 Clinical (unspecified phase)
0.626 Remote Similarity NPD4031 Approved
0.626 Remote Similarity NPD9722 Approved
0.626 Remote Similarity NPD9721 Approved
0.626 Remote Similarity NPD4032 Approved
0.625 Remote Similarity NPD4410 Clinical (unspecified phase)
0.625 Remote Similarity NPD4077 Clinical (unspecified phase)
0.625 Remote Similarity NPD4411 Phase 1
0.625 Remote Similarity NPD3644 Approved
0.625 Remote Similarity NPD3776 Discontinued
0.625 Remote Similarity NPD3622 Clinical (unspecified phase)
0.625 Remote Similarity NPD3643 Approved
0.625 Remote Similarity NPD3623 Clinical (unspecified phase)
0.625 Remote Similarity NPD3642 Approved
0.6241 Remote Similarity NPD1502 Approved
0.6241 Remote Similarity NPD8011 Discontinued

Structure

External Identifiers

PubChem CID   60156064
ChEMBL   CHEMBL2063292
ZINC  

Physicochemical Properties

Molecular Weight:  190.07
ALogP:  -0.2731
MLogP:  2.12
XLogP:  1.965
# Rotatable Bonds:  4
Polar Surface Area:  76.67
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  14

Download Data

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Structure MOL file  
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Biological Activities  
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