Natural Product: NPC41488

Natural Product ID:  NPC41488
Common Name:   6,7-Dibromo-8-Methoxy-4-Oxo-1H-Quinoline-2-Carboxylic Acid
IUPAC Name:   6,7-dibromo-8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
Synonyms:  
Molecular Formula:   C11H7Br2NO4
Standard InCHIKey:  LIJOWGSMOWBQHL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H7Br2NO4/c1-18-10-8(13)5(12)2-4-7(15)3-6(11(16)17)14-9(4)10/h2-3H,1H3,(H,14,15)(H,16,17)
Canonical SMILES:  COc1c(Br)c(Br)cc2c1[nH]c(cc2=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
NPO6477 Aplidium caelestis Species Polyclinidae Eukaryota Australia PMID[20704301]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 38 % 16854076
NPT1524 Cell Line MM96L Homo sapiens Inhibition = 52 % 16854076
NPT1523 Cell Line NFF Homo sapiens Inhibition = 68 % 18817444

  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 NPC41488 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
0.7784 Intermediate Similarity NPC13526
0.7405 Intermediate Similarity NPC257763
0.7393 Intermediate Similarity NPC174576
0.7303 Intermediate Similarity NPC130797
0.7092 Intermediate Similarity NPC472163
0.7062 Intermediate Similarity NPC8467
0.6984 Remote Similarity NPC93653
0.6729 Remote Similarity NPC330683
0.6729 Remote Similarity NPC329567
0.67 Remote Similarity NPC283810
0.6667 Remote Similarity NPC301163
0.6667 Remote Similarity NPC197335
0.6649 Remote Similarity NPC241392
0.6634 Remote Similarity NPC314659
0.6618 Remote Similarity NPC87391
0.6593 Remote Similarity NPC43218
0.6582 Remote Similarity NPC127362
0.6573 Remote Similarity NPC194562
0.6535 Remote Similarity NPC85613
0.6535 Remote Similarity NPC98416
0.6486 Remote Similarity NPC43477
0.6453 Remote Similarity NPC5167
0.6447 Remote Similarity NPC299582
0.6438 Remote Similarity NPC474366
0.6429 Remote Similarity NPC230403
0.6409 Remote Similarity NPC218303
0.6393 Remote Similarity NPC173295
0.6376 Remote Similarity NPC478075
0.6368 Remote Similarity NPC73280
0.6341 Remote Similarity NPC270301
0.6323 Remote Similarity NPC176113
0.6308 Remote Similarity NPC112937
0.6302 Remote Similarity NPC144691
0.6301 Remote Similarity NPC212123
0.6298 Remote Similarity NPC262725
0.6278 Remote Similarity NPC30749
0.6275 Remote Similarity NPC315631
0.6267 Remote Similarity NPC223189
0.6257 Remote Similarity NPC40321
0.625 Remote Similarity NPC253476
0.6239 Remote Similarity NPC184408
0.6227 Remote Similarity NPC321428
0.6205 Remote Similarity NPC114468
0.6194 Remote Similarity NPC216369
0.6182 Remote Similarity NPC246140
0.6182 Remote Similarity NPC195787
0.6178 Remote Similarity NPC2905
0.6178 Remote Similarity NPC148391
0.6167 Remote Similarity NPC134702
0.6161 Remote Similarity NPC305542
0.6157 Remote Similarity NPC132874
0.6157 Remote Similarity NPC265642
0.6157 Remote Similarity NPC138615
0.6157 Remote Similarity NPC218733
0.6138 Remote Similarity NPC470709
0.6135 Remote Similarity NPC475685
0.6134 Remote Similarity NPC178097
0.6133 Remote Similarity NPC39500
0.6132 Remote Similarity NPC144381
0.6114 Remote Similarity NPC315829
0.6111 Remote Similarity NPC226794
0.6106 Remote Similarity NPC116096
0.6104 Remote Similarity NPC314633
0.6096 Remote Similarity NPC182853
0.6087 Remote Similarity NPC118189
0.6071 Remote Similarity NPC25961
0.607 Remote Similarity NPC288987
0.6068 Remote Similarity NPC274640
0.6062 Remote Similarity NPC268223
0.6039 Remote Similarity NPC9475
0.6037 Remote Similarity NPC470021
0.6028 Remote Similarity NPC1820
0.6026 Remote Similarity NPC87560
0.6026 Remote Similarity NPC195120
0.6017 Remote Similarity NPC76478
0.6017 Remote Similarity NPC7560
0.601 Remote Similarity NPC314861
0.6 Remote Similarity NPC206109
0.6 Remote Similarity NPC114039
0.6 Remote Similarity NPC98685
0.5991 Remote Similarity NPC108847
0.5981 Remote Similarity NPC5630
0.598 Remote Similarity NPC470894
0.598 Remote Similarity NPC135103
0.5978 Remote Similarity NPC122235
0.5974 Remote Similarity NPC157983
0.5974 Remote Similarity NPC118154
0.5973 Remote Similarity NPC187501
0.5973 Remote Similarity NPC288759
0.5967 Remote Similarity NPC116562
0.5965 Remote Similarity NPC118228
0.5965 Remote Similarity NPC298449
0.5963 Remote Similarity NPC316282
0.5957 Remote Similarity NPC13249
0.5953 Remote Similarity NPC22476
0.5953 Remote Similarity NPC92803
0.5952 Remote Similarity NPC288305
0.5951 Remote Similarity NPC471778
0.5945 Remote Similarity NPC198401
0.5939 Remote Similarity NPC473608
0.5938 Remote Similarity NPC222561
0.5935 Remote Similarity NPC18890
0.5933 Remote Similarity NPC287152
0.5933 Remote Similarity NPC474815
0.5928 Remote Similarity NPC469732
0.5923 Remote Similarity NPC144452
0.5921 Remote Similarity NPC232225
0.5919 Remote Similarity NPC313112
0.5919 Remote Similarity NPC301292
0.5918 Remote Similarity NPC237649
0.5918 Remote Similarity NPC300596
0.5917 Remote Similarity NPC170333
0.5911 Remote Similarity NPC204867
0.5909 Remote Similarity NPC241263
0.5907 Remote Similarity NPC45389
0.5907 Remote Similarity NPC250597
0.5905 Remote Similarity NPC475120
0.5904 Remote Similarity NPC243404
0.5903 Remote Similarity NPC220241
0.5903 Remote Similarity NPC220337
0.5903 Remote Similarity NPC295479
0.5901 Remote Similarity NPC1464
0.5897 Remote Similarity NPC146370
0.5893 Remote Similarity NPC82053
0.5889 Remote Similarity NPC130931
0.5885 Remote Similarity NPC148889
0.5879 Remote Similarity NPC470710
0.5877 Remote Similarity NPC119722
0.5876 Remote Similarity NPC184632
0.5872 Remote Similarity NPC122886
0.5864 Remote Similarity NPC177967
0.5864 Remote Similarity NPC476475
0.5864 Remote Similarity NPC471237
0.5859 Remote Similarity NPC314223
0.5854 Remote Similarity NPC182131
0.5848 Remote Similarity NPC268077
0.5848 Remote Similarity NPC87714
0.5848 Remote Similarity NPC475147
0.5847 Remote Similarity NPC285254
0.5845 Remote Similarity NPC470023
0.5844 Remote Similarity NPC126556
0.5844 Remote Similarity NPC37152
0.5837 Remote Similarity NPC280714
0.5833 Remote Similarity NPC314252
0.5833 Remote Similarity NPC474059
0.5833 Remote Similarity NPC181526
0.5833 Remote Similarity NPC471236
0.5833 Remote Similarity NPC197766
0.5833 Remote Similarity NPC47986
0.583 Remote Similarity NPC94842
0.5826 Remote Similarity NPC254957
0.5826 Remote Similarity NPC314702
0.5826 Remote Similarity NPC473941
0.5823 Remote Similarity NPC257851
0.5822 Remote Similarity NPC300156
0.5813 Remote Similarity NPC474535
0.5813 Remote Similarity NPC231862
0.5813 Remote Similarity NPC208522
0.5813 Remote Similarity NPC27904
0.5812 Remote Similarity NPC470248
0.5809 Remote Similarity NPC97902
0.5808 Remote Similarity NPC470481
0.5808 Remote Similarity NPC470482
0.5806 Remote Similarity NPC203628
0.5805 Remote Similarity NPC179287
0.5804 Remote Similarity NPC207971
0.5802 Remote Similarity NPC28368
0.5801 Remote Similarity NPC179605
0.5801 Remote Similarity NPC67658
0.5801 Remote Similarity NPC279385
0.5799 Remote Similarity NPC21483
0.5799 Remote Similarity NPC198205
0.5796 Remote Similarity NPC193238
0.5794 Remote Similarity NPC49184
0.5794 Remote Similarity NPC208084
0.5792 Remote Similarity NPC311054
0.5792 Remote Similarity NPC112752
0.5792 Remote Similarity NPC49547
0.5789 Remote Similarity NPC269449
0.5785 Remote Similarity NPC162002
0.5785 Remote Similarity NPC214368
0.5784 Remote Similarity NPC305490
0.5784 Remote Similarity NPC475697
0.5781 Remote Similarity NPC471316
0.5779 Remote Similarity NPC41501
0.5777 Remote Similarity NPC471652
0.5769 Remote Similarity NPC225279
0.5769 Remote Similarity NPC103292
0.5766 Remote Similarity NPC107828
0.5766 Remote Similarity NPC90358
0.5764 Remote Similarity NPC87413
0.5763 Remote Similarity NPC51388
0.5761 Remote Similarity NPC26641
0.5759 Remote Similarity NPC15987
0.5758 Remote Similarity NPC242000
0.5758 Remote Similarity NPC316297
0.5758 Remote Similarity NPC314817
0.5758 Remote Similarity NPC66191
0.5756 Remote Similarity NPC158900
0.5756 Remote Similarity NPC74575

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC41488 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
0.6986 Remote Similarity NPD4456 Clinical (unspecified phase)
0.6967 Remote Similarity NPD4082 Approved
0.6967 Remote Similarity NPD3472 Approved
0.6967 Remote Similarity NPD4022 Approved
0.6919 Remote Similarity NPD4596 Phase 1
0.6901 Remote Similarity NPD3372 Discontinued
0.6869 Remote Similarity NPD4493 Discontinued
0.6837 Remote Similarity NPD4492 Approved
0.6837 Remote Similarity NPD4494 Approved
0.6822 Remote Similarity NPD3893 Discontinued
0.68 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6791 Remote Similarity NPD1945 Phase 1
0.6759 Remote Similarity NPD3888 Discontinued
0.6744 Remote Similarity NPD5860 Discontinued
0.6729 Remote Similarity NPD2906 Approved
0.6729 Remote Similarity NPD2907 Approved
0.6728 Remote Similarity NPD4455 Discontinued
0.6684 Remote Similarity NPD1161 Approved
0.6636 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6622 Remote Similarity NPD5433 Clinical (unspecified phase)
0.6615 Remote Similarity NPD1168 Approved
0.6495 Remote Similarity NPD956 Clinical (unspecified phase)
0.6477 Remote Similarity NPD2672 Discontinued
0.6474 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6473 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6465 Remote Similarity NPD2681 Approved
0.6465 Remote Similarity NPD2680 Approved
0.6465 Remote Similarity NPD2821 Approved
0.6465 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4515 Suspended
0.6381 Remote Similarity NPD4302 Clinical (unspecified phase)
0.6359 Remote Similarity NPD3298 Approved
0.6359 Remote Similarity NPD9468 Clinical (unspecified phase)
0.634 Remote Similarity NPD3684 Discontinued
0.6324 Remote Similarity NPD1532 Approved
0.632 Remote Similarity NPD6199 Discontinued
0.6279 Remote Similarity NPD3297 Approved
0.625 Remote Similarity NPD1559 Discontinued
0.625 Remote Similarity NPD1531 Approved
0.6243 Remote Similarity NPD1625 Approved
0.6212 Remote Similarity NPD1012 Discontinued
0.621 Remote Similarity NPD4467 Phase 2
0.621 Remote Similarity NPD4465 Phase 2
0.6188 Remote Similarity NPD683 Approved
0.6142 Remote Similarity NPD2836 Approved
0.6139 Remote Similarity NPD2249 Approved
0.6139 Remote Similarity NPD2247 Approved
0.6134 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6124 Remote Similarity NPD7546 Discontinued
0.6117 Remote Similarity NPD1170 Approved
0.6117 Remote Similarity NPD1626 Approved
0.6116 Remote Similarity NPD5416 Discontinued
0.6114 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6108 Remote Similarity NPD5186 Approved
0.6108 Remote Similarity NPD5183 Approved
0.6105 Remote Similarity NPD1189 Approved
0.6082 Remote Similarity NPD4888 Discontinued
0.6081 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6077 Remote Similarity NPD2802 Phase 3
0.607 Remote Similarity NPD2899 Discontinued
0.6068 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6058 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6058 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6055 Remote Similarity NPD6874 Approved
0.6035 Remote Similarity NPD5417 Clinical (unspecified phase)
0.603 Remote Similarity NPD1769 Discontinued
0.603 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6029 Remote Similarity NPD1298 Discontinued
0.6026 Remote Similarity NPD4429 Discontinued
0.601 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6 Remote Similarity NPD7566 Clinical (unspecified phase)
0.5982 Remote Similarity NPD6593 Clinical (unspecified phase)
0.5982 Remote Similarity NPD2514 Approved
0.5981 Remote Similarity NPD5896 Clinical (unspecified phase)
0.5979 Remote Similarity NPD1305 Clinical (unspecified phase)
0.5963 Remote Similarity NPD7238 Clinical (unspecified phase)
0.5955 Remote Similarity NPD2339 Phase 3
0.5949 Remote Similarity NPD1801 Approved
0.5949 Remote Similarity NPD1802 Approved
0.5939 Remote Similarity NPD8330 Clinical (unspecified phase)
0.5939 Remote Similarity NPD1230 Approved
0.5931 Remote Similarity NPD5496 Approved
0.5924 Remote Similarity NPD1891 Discontinued
0.5923 Remote Similarity NPD6160 Clinical (unspecified phase)
0.592 Remote Similarity NPD2842 Clinical (unspecified phase)
0.5917 Remote Similarity NPD3964 Approved
0.5917 Remote Similarity NPD7853 Phase 2
0.5917 Remote Similarity NPD7880 Clinical (unspecified phase)
0.5907 Remote Similarity NPD5022 Discontinued
0.5907 Remote Similarity NPD5928 Phase 1
0.5905 Remote Similarity NPD3437 Discontinued
0.5905 Remote Similarity NPD692 Approved
0.5905 Remote Similarity NPD6654 Clinical (unspecified phase)
0.5902 Remote Similarity NPD6457 Approved
0.59 Remote Similarity NPD2366 Approved
0.5885 Remote Similarity NPD3965 Phase 1
0.587 Remote Similarity NPD8149 Discontinued
0.5864 Remote Similarity NPD4668 Phase 2
0.5864 Remote Similarity NPD5071 Phase 2
0.5864 Remote Similarity NPD5196 Approved
0.5864 Remote Similarity NPD5197 Approved
0.5864 Remote Similarity NPD5194 Approved
0.586 Remote Similarity NPD1898 Discontinued
0.5859 Remote Similarity NPD5586 Clinical (unspecified phase)
0.5855 Remote Similarity NPD6414 Clinical (unspecified phase)
0.583 Remote Similarity NPD6795 Clinical (unspecified phase)
0.583 Remote Similarity NPD3912 Discontinued
0.583 Remote Similarity NPD7071 Clinical (unspecified phase)
0.583 Remote Similarity NPD7547 Clinical (unspecified phase)
0.583 Remote Similarity NPD2779 Approved
0.5829 Remote Similarity NPD9718 Approved
0.5817 Remote Similarity NPD3451 Clinical (unspecified phase)
0.5817 Remote Similarity NPD2246 Approved
0.5817 Remote Similarity NPD2248 Approved
0.5814 Remote Similarity NPD4587 Phase 3
0.5811 Remote Similarity NPD6519 Phase 2
0.5806 Remote Similarity NPD5871 Discontinued
0.5805 Remote Similarity NPD3252 Approved
0.5804 Remote Similarity NPD6478 Clinical (unspecified phase)
0.5804 Remote Similarity NPD3802 Phase 3
0.5796 Remote Similarity NPD2434 Approved
0.5796 Remote Similarity NPD7043 Discontinued
0.5794 Remote Similarity NPD6021 Clinical (unspecified phase)
0.5785 Remote Similarity NPD6321 Discontinued
0.5785 Remote Similarity NPD3416 Discontinued
0.5781 Remote Similarity NPD7186 Phase 3
0.5771 Remote Similarity NPD5050 Approved
0.5767 Remote Similarity NPD3154 Approved
0.5767 Remote Similarity NPD1527 Phase 2
0.5767 Remote Similarity NPD3153 Approved
0.5766 Remote Similarity NPD2778 Approved
0.5763 Remote Similarity NPD7542 Phase 3
0.5758 Remote Similarity NPD7528 Approved
0.5756 Remote Similarity NPD2288 Clinical (unspecified phase)
0.5756 Remote Similarity NPD3259 Approved
0.5756 Remote Similarity NPD955 Approved
0.5756 Remote Similarity NPD7994 Phase 2
0.5751 Remote Similarity NPD7395 Discontinued
0.5747 Remote Similarity NPD4979 Clinical (unspecified phase)
0.5741 Remote Similarity NPD4084 Clinical (unspecified phase)
0.5735 Remote Similarity NPD5334 Clinical (unspecified phase)
0.5734 Remote Similarity NPD5042 Phase 1
0.573 Remote Similarity NPD1574 Approved
0.5728 Remote Similarity NPD6104 Discontinued
0.5727 Remote Similarity NPD7256 Discontinued
0.5721 Remote Similarity NPD4586 Phase 3
0.572 Remote Similarity NPD3006 Discontinued
0.5714 Remote Similarity NPD6608 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5466 Approved
0.5708 Remote Similarity NPD5165 Clinical (unspecified phase)
0.5708 Remote Similarity NPD5102 Clinical (unspecified phase)
0.5708 Remote Similarity NPD5937 Approved
0.5707 Remote Similarity NPD1210 Approved
0.5702 Remote Similarity NPD5950 Discontinued
0.5702 Remote Similarity NPD4859 Phase 1
0.5701 Remote Similarity NPD2804 Phase 1
0.5699 Remote Similarity NPD1109 Approved
0.5699 Remote Similarity NPD1110 Approved
0.5696 Remote Similarity NPD7278 Phase 2
0.5696 Remote Similarity NPD7272 Discontinued
0.5696 Remote Similarity NPD7279 Phase 2
0.5695 Remote Similarity NPD1880 Phase 3
0.5694 Remote Similarity NPD1913 Phase 1
0.5694 Remote Similarity NPD4083 Discontinued
0.5694 Remote Similarity NPD5242 Approved
0.569 Remote Similarity NPD7412 Clinical (unspecified phase)
0.5688 Remote Similarity NPD4259 Approved
0.5688 Remote Similarity NPD4258 Approved
0.5686 Remote Similarity NPD5294 Clinical (unspecified phase)
0.5682 Remote Similarity NPD4539 Phase 1
0.5681 Remote Similarity NPD5445 Approved
0.5679 Remote Similarity NPD2951 Discontinued
0.5676 Remote Similarity NPD5195 Discontinued
0.5676 Remote Similarity NPD6621 Clinical (unspecified phase)
0.5671 Remote Similarity NPD7178 Clinical (unspecified phase)
0.5668 Remote Similarity NPD6793 Clinical (unspecified phase)
0.5663 Remote Similarity NPD2976 Clinical (unspecified phase)
0.566 Remote Similarity NPD5521 Clinical (unspecified phase)
0.566 Remote Similarity NPD3793 Phase 3
0.5659 Remote Similarity NPD4288 Approved
0.5654 Remote Similarity NPD2285 Clinical (unspecified phase)
0.5652 Remote Similarity NPD4997 Clinical (unspecified phase)
0.5648 Remote Similarity NPD2670 Approved
0.5646 Remote Similarity NPD1839 Phase 1
0.5646 Remote Similarity NPD5847 Phase 1
0.5644 Remote Similarity NPD2651 Approved
0.5644 Remote Similarity NPD5086 Approved
0.5644 Remote Similarity NPD2649 Approved
0.5644 Remote Similarity NPD6238 Discontinued
0.5643 Remote Similarity NPD4981 Phase 2
0.5642 Remote Similarity NPD2792 Approved
0.5642 Remote Similarity NPD1276 Clinical (unspecified phase)
0.5641 Remote Similarity NPD6719 Approved
0.5639 Remote Similarity NPD1294 Discontinued
0.5636 Remote Similarity NPD7570 Approved
0.5636 Remote Similarity NPD1996 Discontinued
0.5636 Remote Similarity NPD7569 Approved
0.5634 Remote Similarity NPD2869 Clinical (unspecified phase)
0.5634 Remote Similarity NPD5900 Clinical (unspecified phase)
0.5631 Remote Similarity NPD5512 Phase 3

Structure

External Identifiers

PubChem CID   46938559
ChEMBL   CHEMBL1223733
ZINC  

Physicochemical Properties

Molecular Weight:  374.87
ALogP:  0.7161
MLogP:  1.9
XLogP:  1.89
# Rotatable Bonds:  6
Polar Surface Area:  75.63
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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