Natural Product: NPC205652

Natural Product ID:  NPC205652
Common Name:   (4R)-2-Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxamide
IUPAC Name:   (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
Synonyms:  
Molecular Formula:   C10H10N2O2
Standard InCHIKey:  DLPOANDLVJHGGA-SSDOTTSWSA-N
Standard InCHI:  InChI=1S/C10H10N2O2/c11-10(14)7-5-9(13)12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,11,14)(H,12,13)/t7-/m1/s1
Canonical SMILES:  OC1=Nc2ccccc2[C@@H](C1)C(=N)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
NPT2 Others Unspecified Inhibition = 45 % 20585130

  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 NPC205652 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 NPC470550
0.844 Intermediate Similarity NPC178681
0.8197 Intermediate Similarity NPC317758
0.808 Intermediate Similarity NPC197680
0.808 Intermediate Similarity NPC259098
0.7983 Intermediate Similarity NPC147957
0.784 Intermediate Similarity NPC325013
0.784 Intermediate Similarity NPC474926
0.7826 Intermediate Similarity NPC37584
0.7757 Intermediate Similarity NPC78154
0.7706 Intermediate Similarity NPC476483
0.7594 Intermediate Similarity NPC166667
0.7405 Intermediate Similarity NPC316746
0.7391 Intermediate Similarity NPC472103
0.7364 Intermediate Similarity NPC226438
0.7348 Intermediate Similarity NPC476689
0.7348 Intermediate Similarity NPC476685
0.7348 Intermediate Similarity NPC476687
0.7321 Intermediate Similarity NPC161972
0.7321 Intermediate Similarity NPC303045
0.7197 Intermediate Similarity NPC226662
0.7121 Intermediate Similarity NPC101372
0.7103 Intermediate Similarity NPC15839
0.7043 Intermediate Similarity NPC311242
0.7042 Intermediate Similarity NPC472100
0.7034 Intermediate Similarity NPC184161
0.7027 Intermediate Similarity NPC470877
0.6985 Remote Similarity NPC184437
0.6981 Remote Similarity NPC192623
0.6978 Remote Similarity NPC243162
0.6964 Remote Similarity NPC74936
0.6964 Remote Similarity NPC78041
0.6964 Remote Similarity NPC172128
0.6964 Remote Similarity NPC471307
0.6964 Remote Similarity NPC191444
0.6964 Remote Similarity NPC141139
0.6964 Remote Similarity NPC316108
0.6964 Remote Similarity NPC209764
0.6964 Remote Similarity NPC121872
0.6964 Remote Similarity NPC159178
0.6916 Remote Similarity NPC307456
0.6894 Remote Similarity NPC205946
0.6892 Remote Similarity NPC141353
0.688 Remote Similarity NPC314141
0.6875 Remote Similarity NPC176858
0.6842 Remote Similarity NPC108800
0.6821 Remote Similarity NPC472121
0.681 Remote Similarity NPC25565
0.6809 Remote Similarity NPC316202
0.68 Remote Similarity NPC291359
0.6786 Remote Similarity NPC111233
0.6786 Remote Similarity NPC30445
0.6783 Remote Similarity NPC471309
0.6779 Remote Similarity NPC285469
0.6779 Remote Similarity NPC10730
0.6779 Remote Similarity NPC10875
0.6769 Remote Similarity NPC317564
0.6761 Remote Similarity NPC477155
0.6752 Remote Similarity NPC475439
0.6752 Remote Similarity NPC473501
0.6748 Remote Similarity NPC164802
0.6748 Remote Similarity NPC302790
0.6742 Remote Similarity NPC283130
0.6742 Remote Similarity NPC328683
0.6713 Remote Similarity NPC314287
0.6696 Remote Similarity NPC471638
0.6696 Remote Similarity NPC262295
0.6689 Remote Similarity NPC219383
0.6667 Remote Similarity NPC76327
0.6667 Remote Similarity NPC192209
0.6645 Remote Similarity NPC68650
0.6643 Remote Similarity NPC159589
0.6641 Remote Similarity NPC222982
0.664 Remote Similarity NPC9336
0.6623 Remote Similarity NPC211525
0.6623 Remote Similarity NPC153694
0.6618 Remote Similarity NPC278451
0.6614 Remote Similarity NPC187036
0.6603 Remote Similarity NPC257354
0.6601 Remote Similarity NPC16667
0.66 Remote Similarity NPC207726
0.6599 Remote Similarity NPC300596
0.6599 Remote Similarity NPC237649
0.6596 Remote Similarity NPC287358
0.6585 Remote Similarity NPC327481
0.6581 Remote Similarity NPC58674
0.6581 Remote Similarity NPC19555
0.6579 Remote Similarity NPC97380
0.6579 Remote Similarity NPC63210
0.6579 Remote Similarity NPC310403
0.6579 Remote Similarity NPC263709
0.6579 Remote Similarity NPC148468
0.6579 Remote Similarity NPC243673
0.6562 Remote Similarity NPC118202
0.6557 Remote Similarity NPC194390
0.6557 Remote Similarity NPC224610
0.6557 Remote Similarity NPC88267
0.6557 Remote Similarity NPC113326
0.6556 Remote Similarity NPC477157
0.6556 Remote Similarity NPC477156
0.6552 Remote Similarity NPC477890
0.6538 Remote Similarity NPC313449
0.6538 Remote Similarity NPC317430
0.6536 Remote Similarity NPC279918
0.6531 Remote Similarity NPC254798
0.6522 Remote Similarity NPC92689
0.6522 Remote Similarity NPC258627
0.6519 Remote Similarity NPC474479
0.6515 Remote Similarity NPC130931
0.6515 Remote Similarity NPC150323
0.6503 Remote Similarity NPC472243
0.6494 Remote Similarity NPC282231
0.6489 Remote Similarity NPC229353
0.6484 Remote Similarity NPC1986
0.6484 Remote Similarity NPC474544
0.6484 Remote Similarity NPC296163
0.6483 Remote Similarity NPC60553
0.6475 Remote Similarity NPC471317
0.6475 Remote Similarity NPC313466
0.6475 Remote Similarity NPC164859
0.6474 Remote Similarity NPC49954
0.6474 Remote Similarity NPC474561
0.6471 Remote Similarity NPC230869
0.6471 Remote Similarity NPC67056
0.6471 Remote Similarity NPC33168
0.6466 Remote Similarity NPC245259
0.6463 Remote Similarity NPC259678
0.6449 Remote Similarity NPC314431
0.6443 Remote Similarity NPC288445
0.6438 Remote Similarity NPC190945
0.6434 Remote Similarity NPC181527
0.6433 Remote Similarity NPC469462
0.6429 Remote Similarity NPC255721
0.6423 Remote Similarity NPC58827
0.6423 Remote Similarity NPC72473
0.6423 Remote Similarity NPC275467
0.6423 Remote Similarity NPC307437
0.6414 Remote Similarity NPC472241
0.641 Remote Similarity NPC470069
0.641 Remote Similarity NPC52059
0.6395 Remote Similarity NPC242556
0.6395 Remote Similarity NPC116519
0.6392 Remote Similarity NPC126481
0.6392 Remote Similarity NPC280548
0.6387 Remote Similarity NPC476231
0.6387 Remote Similarity NPC315214
0.6387 Remote Similarity NPC47298
0.6385 Remote Similarity NPC288232
0.6382 Remote Similarity NPC161827
0.6378 Remote Similarity NPC319579
0.6375 Remote Similarity NPC472586
0.6371 Remote Similarity NPC211551
0.6369 Remote Similarity NPC278887
0.6369 Remote Similarity NPC54988
0.6364 Remote Similarity NPC126637
0.6364 Remote Similarity NPC323726
0.6364 Remote Similarity NPC264580
0.6358 Remote Similarity NPC472443
0.6358 Remote Similarity NPC472331
0.6358 Remote Similarity NPC126515
0.6358 Remote Similarity NPC274002
0.6351 Remote Similarity NPC264589
0.635 Remote Similarity NPC250476
0.6348 Remote Similarity NPC262393
0.6348 Remote Similarity NPC325441
0.6346 Remote Similarity NPC32028
0.6346 Remote Similarity NPC159319
0.6345 Remote Similarity NPC314113
0.6341 Remote Similarity NPC471310
0.6341 Remote Similarity NPC202613
0.6336 Remote Similarity NPC82963
0.6335 Remote Similarity NPC168153
0.6333 Remote Similarity NPC37548
0.6329 Remote Similarity NPC63751
0.6328 Remote Similarity NPC275410
0.6328 Remote Similarity NPC329011
0.6323 Remote Similarity NPC131718
0.6323 Remote Similarity NPC143457
0.6316 Remote Similarity NPC471132
0.6312 Remote Similarity NPC276993
0.6312 Remote Similarity NPC293255
0.6312 Remote Similarity NPC181138
0.6312 Remote Similarity NPC298851
0.6312 Remote Similarity NPC210415
0.6312 Remote Similarity NPC21752
0.6312 Remote Similarity NPC34508
0.6311 Remote Similarity NPC469457
0.6308 Remote Similarity NPC33742
0.6306 Remote Similarity NPC470508
0.6304 Remote Similarity NPC476950
0.6304 Remote Similarity NPC478079
0.6299 Remote Similarity NPC470127
0.6293 Remote Similarity NPC173991
0.6288 Remote Similarity NPC311737
0.6288 Remote Similarity NPC38458
0.6284 Remote Similarity NPC472242
0.6282 Remote Similarity NPC85651
0.6279 Remote Similarity NPC474584
0.627 Remote Similarity NPC172170
0.627 Remote Similarity NPC79618

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC205652 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
0.784 Intermediate Similarity NPD1036 Approved
0.7787 Intermediate Similarity NPD2212 Approved
0.7787 Intermediate Similarity NPD2210 Approved
0.7706 Intermediate Similarity NPD1394 Approved
0.752 Intermediate Similarity NPD1236 Phase 3
0.7519 Intermediate Similarity NPD995 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD4895 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD181 Approved
0.75 Intermediate Similarity NPD563 Approved
0.75 Intermediate Similarity NPD564 Approved
0.7477 Intermediate Similarity NPD665 Phase 2
0.7395 Intermediate Similarity NPD1107 Approved
0.7395 Intermediate Similarity NPD1108 Approved
0.7385 Intermediate Similarity NPD9701 Discontinued
0.7364 Intermediate Similarity NPD530 Approved
0.7364 Intermediate Similarity NPD1593 Approved
0.7355 Intermediate Similarity NPD1764 Approved
0.7355 Intermediate Similarity NPD1762 Approved
0.7328 Intermediate Similarity NPD1542 Approved
0.7295 Intermediate Similarity NPD3150 Approved
0.7295 Intermediate Similarity NPD2658 Approved
0.7295 Intermediate Similarity NPD2659 Approved
0.7295 Intermediate Similarity NPD3147 Approved
0.7295 Intermediate Similarity NPD3148 Approved
0.7295 Intermediate Similarity NPD3149 Approved
0.7273 Intermediate Similarity NPD1001 Discontinued
0.7241 Intermediate Similarity NPD1540 Approved
0.7206 Intermediate Similarity NPD3864 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD6301 Phase 2
0.7167 Intermediate Similarity NPD2679 Approved
0.7167 Intermediate Similarity NPD2678 Approved
0.7164 Intermediate Similarity NPD1316 Discontinued
0.7156 Intermediate Similarity NPD9538 Approved
0.7154 Intermediate Similarity NPD456 Approved
0.7143 Intermediate Similarity NPD752 Approved
0.7143 Intermediate Similarity NPD993 Approved
0.7143 Intermediate Similarity NPD1216 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD990 Approved
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)
0.708 Intermediate Similarity NPD719 Approved
0.708 Intermediate Similarity NPD720 Approved
0.7068 Intermediate Similarity NPD6359 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD9247 Phase 3
0.7059 Intermediate Similarity NPD2470 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD999 Phase 2
0.705 Intermediate Similarity NPD6789 Approved
0.7045 Intermediate Similarity NPD7904 Phase 2
0.704 Intermediate Similarity NPD2622 Approved
0.7037 Intermediate Similarity NPD1594 Phase 3
0.7037 Intermediate Similarity NPD1595 Approved
0.7034 Intermediate Similarity NPD2244 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7156 Discontinued
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)
0.7 Intermediate Similarity NPD964 Approved
0.6991 Remote Similarity NPD6690 Approved
0.696 Remote Similarity NPD5631 Phase 3
0.6953 Remote Similarity NPD1479 Clinical (unspecified phase)
0.6929 Remote Similarity NPD9477 Approved
0.6901 Remote Similarity NPD6506 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1525 Approved
0.6897 Remote Similarity NPD1875 Phase 1
0.6894 Remote Similarity NPD6320 Approved
0.6849 Remote Similarity NPD3329 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5770 Phase 3
0.6842 Remote Similarity NPD1814 Approved
0.6842 Remote Similarity NPD1812 Approved
0.6833 Remote Similarity NPD179 Clinical (unspecified phase)
0.681 Remote Similarity NPD2507 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4119 Approved
0.6786 Remote Similarity NPD1101 Approved
0.6777 Remote Similarity NPD5717 Approved
0.6777 Remote Similarity NPD1018 Approved
0.6767 Remote Similarity NPD1574 Approved
0.6765 Remote Similarity NPD3720 Discontinued
0.6765 Remote Similarity NPD4274 Approved
0.6765 Remote Similarity NPD4275 Approved
0.6748 Remote Similarity NPD477 Phase 1
0.6748 Remote Similarity NPD476 Approved
0.6746 Remote Similarity NPD23 Approved
0.6742 Remote Similarity NPD478 Approved
0.6739 Remote Similarity NPD1106 Discontinued
0.6736 Remote Similarity NPD5595 Clinical (unspecified phase)
0.6713 Remote Similarity NPD1592 Phase 3
0.6712 Remote Similarity NPD979 Approved
0.6712 Remote Similarity NPD5881 Clinical (unspecified phase)
0.6694 Remote Similarity NPD1539 Approved
0.6692 Remote Similarity NPD1922 Discontinued
0.669 Remote Similarity NPD1477 Approved
0.6667 Remote Similarity NPD2789 Approved
0.6667 Remote Similarity NPD9507 Approved
0.6667 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6667 Remote Similarity NPD457 Approved
0.6643 Remote Similarity NPD471 Approved
0.6642 Remote Similarity NPD4857 Phase 1
0.6642 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6641 Remote Similarity NPD224 Phase 2
0.6639 Remote Similarity NPD1040 Phase 2
0.662 Remote Similarity NPD6522 Clinical (unspecified phase)
0.6617 Remote Similarity NPD1498 Approved
0.6594 Remote Similarity NPD864 Approved
0.6594 Remote Similarity NPD865 Approved
0.6589 Remote Similarity NPD1841 Clinical (unspecified phase)
0.6571 Remote Similarity NPD1228 Phase 2
0.6555 Remote Similarity NPD4117 Approved
0.6547 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6544 Remote Similarity NPD1516 Approved
0.6541 Remote Similarity NPD2131 Approved
0.6538 Remote Similarity NPD7480 Approved
0.6538 Remote Similarity NPD7481 Approved
0.6538 Remote Similarity NPD1837 Clinical (unspecified phase)
0.6536 Remote Similarity NPD5599 Discontinued
0.6529 Remote Similarity NPD5716 Approved
0.6528 Remote Similarity NPD1908 Phase 2
0.6515 Remote Similarity NPD9272 Approved
0.6507 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6496 Remote Similarity NPD1409 Phase 3
0.6496 Remote Similarity NPD1080 Approved
0.6493 Remote Similarity NPD7461 Approved
0.6491 Remote Similarity NPD531 Approved
0.6486 Remote Similarity NPD4702 Approved
0.6486 Remote Similarity NPD4703 Approved
0.6475 Remote Similarity NPD1186 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2487 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6900 Discontinued
0.6467 Remote Similarity NPD2188 Approved
0.6467 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6467 Remote Similarity NPD6158 Phase 2
0.6467 Remote Similarity NPD6707 Clinical (unspecified phase)
0.6463 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6462 Remote Similarity NPD1344 Phase 2
0.6462 Remote Similarity NPD1596 Approved
0.6457 Remote Similarity NPD2038 Approved
0.6457 Remote Similarity NPD2039 Approved
0.6454 Remote Similarity NPD2791 Discontinued
0.6447 Remote Similarity NPD951 Approved
0.6443 Remote Similarity NPD5546 Clinical (unspecified phase)
0.6441 Remote Similarity NPD3772 Phase 3
0.6441 Remote Similarity NPD4814 Discontinued
0.6438 Remote Similarity NPD2387 Approved
0.6438 Remote Similarity NPD2435 Approved
0.6418 Remote Similarity NPD2173 Clinical (unspecified phase)
0.6406 Remote Similarity NPD4165 Phase 2
0.6406 Remote Similarity NPD3066 Phase 2
0.6404 Remote Similarity NPD187 Approved
0.6403 Remote Similarity NPD1500 Approved
0.64 Remote Similarity NPD6299 Approved
0.64 Remote Similarity NPD6300 Approved
0.6397 Remote Similarity NPD6325 Discontinued
0.6397 Remote Similarity NPD5577 Clinical (unspecified phase)
0.6397 Remote Similarity NPD5578 Approved
0.6389 Remote Similarity NPD1209 Approved
0.6389 Remote Similarity NPD1205 Approved
0.6387 Remote Similarity NPD1684 Approved
0.6387 Remote Similarity NPD1685 Approved
0.6387 Remote Similarity NPD972 Clinical (unspecified phase)
0.6383 Remote Similarity NPD5185 Approved
0.6383 Remote Similarity NPD5184 Approved
0.6383 Remote Similarity NPD5182 Approved
0.6383 Remote Similarity NPD7200 Approved
0.6382 Remote Similarity NPD5617 Suspended
0.6378 Remote Similarity NPD3643 Approved
0.6378 Remote Similarity NPD3644 Approved
0.6378 Remote Similarity NPD3642 Approved
0.6371 Remote Similarity NPD414 Discontinued
0.637 Remote Similarity NPD4430 Phase 2
0.6364 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6357 Remote Similarity NPD1502 Approved
0.6357 Remote Similarity NPD8011 Discontinued
0.6352 Remote Similarity NPD2216 Approved
0.6352 Remote Similarity NPD2215 Approved
0.6351 Remote Similarity NPD4041 Approved
0.6343 Remote Similarity NPD1079 Discontinued
0.6343 Remote Similarity NPD9692 Approved
0.6343 Remote Similarity NPD9693 Approved
0.634 Remote Similarity NPD980 Clinical (unspecified phase)
0.6338 Remote Similarity NPD1859 Approved
0.6336 Remote Similarity NPD732 Approved
0.6336 Remote Similarity NPD733 Approved
0.6331 Remote Similarity NPD1271 Clinical (unspecified phase)
0.6329 Remote Similarity NPD2844 Phase 3
0.6316 Remote Similarity NPD4121 Phase 3
0.6316 Remote Similarity NPD5811 Approved
0.6316 Remote Similarity NPD4120 Approved
0.6308 Remote Similarity NPD1813 Discontinued
0.6291 Remote Similarity NPD2328 Phase 2
0.6289 Remote Similarity NPD1325 Approved
0.6289 Remote Similarity NPD1326 Approved
0.6281 Remote Similarity NPD253 Approved
0.6276 Remote Similarity NPD6606 Clinical (unspecified phase)
0.6275 Remote Similarity NPD7822 Phase 1
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)

Structure

External Identifiers

PubChem CID   60156055
ChEMBL   CHEMBL2063180
ZINC  

Physicochemical Properties

Molecular Weight:  190.07
ALogP:  -0.2731
MLogP:  2.12
XLogP:  1.965
# Rotatable Bonds:  3
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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