Natural Product: NPC112937

Natural Product ID:  NPC112937
Common Name:   8-Methoxy-9-Methylfuro[2,3-B]Quinolin-4-One
IUPAC Name:   8-methoxy-9-methylfuro[2,3-b]quinolin-4-one
Synonyms:   Iso-Gamma-Fagarine
Molecular Formula:   C13H11NO3
Standard InCHIKey:  VNBUMBNLPGLBML-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H11NO3/c1-14-11-8(4-3-5-10(11)16-2)12(15)9-6-7-17-13(9)14/h3-7H,1-2H3
Canonical SMILES:  COc1cccc2c1n(C)c1c(c2=O)cco1
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
NPO9469 Digitalis obscura Species Plantaginaceae Eukaryota UNPD*
NPO17936 Glycosmis arborea Species Rutaceae Eukaryota PMID[15387647]
NPO6557 Lotus villosus Species Fabaceae Eukaryota UNPD*
NPO4756 Mesua elegans Species Calophyllaceae Eukaryota UNPD*
NPO81 Erythrina orientalis Species Fabaceae Eukaryota UNPD*
NPO5710 Michelia rajaniana Species Magnoliaceae Eukaryota UNPD*
NPO3215 Phora atra Species Phoridae Eukaryota UNPD*
NPO11244 Chrysolaena propinqua Species Asteraceae Eukaryota UNPD*
NPO25530 Daphne blagayana Species Thymelaeaceae Eukaryota UNPD*
NPO29440 Sarcomyxa serotina Species Tricholomataceae Eukaryota UNPD*
NPO12990 Umbelopsis vinacea Species Umbelopsidaceae Eukaryota UNPD*
NPO924 Russula subnigricans Species Russulaceae Eukaryota UNPD*
NPO28383 Vernonia tufnellae Species Asteraceae Eukaryota UNPD*
NPO9318 Stevia serrata Species Asteraceae Eukaryota UNPD*
NPO5060 Onychopetalum amazonicum Species Annonaceae Eukaryota UNPD*
NPO8378 Fagara heitzii NA NA NA UNPD*
NPO817 Dictamnus angustifolius Species Rutaceae Eukaryota TCMID*
NPO4442 Artemisia austriaca Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 19.9 % 15387647
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 15387647
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 15387647
NPT2 Others Unspecified Activity = 40.5 % 15387647
NPT2 Others Unspecified Activity = 79.5 % 15387647
NPT2 Others Unspecified Activity = 100 % 15387647
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 79432.8 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 36.6 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set

  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 NPC112937 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
0.9379 High Similarity NPC45389
0.8883 High Similarity NPC41216
0.8039 Intermediate Similarity NPC131885
0.788 Intermediate Similarity NPC471648
0.7762 Intermediate Similarity NPC205372
0.7736 Intermediate Similarity NPC140296
0.765 Intermediate Similarity NPC257763
0.7633 Intermediate Similarity NPC16066
0.7617 Intermediate Similarity NPC87391
0.761 Intermediate Similarity NPC269367
0.7592 Intermediate Similarity NPC197335
0.7552 Intermediate Similarity NPC314659
0.7541 Intermediate Similarity NPC301163
0.7527 Intermediate Similarity NPC471652
0.7523 Intermediate Similarity NPC34770
0.75 Intermediate Similarity NPC93653
0.75 Intermediate Similarity NPC30749
0.75 Intermediate Similarity NPC270301
0.7475 Intermediate Similarity NPC254957
0.7432 Intermediate Similarity NPC471649
0.7427 Intermediate Similarity NPC329567
0.7427 Intermediate Similarity NPC330683
0.7406 Intermediate Similarity NPC298436
0.7402 Intermediate Similarity NPC207971
0.7394 Intermediate Similarity NPC471651
0.7379 Intermediate Similarity NPC212123
0.7368 Intermediate Similarity NPC305542
0.7366 Intermediate Similarity NPC268077
0.7358 Intermediate Similarity NPC195120
0.7327 Intermediate Similarity NPC71124
0.7321 Intermediate Similarity NPC166712
0.7295 Intermediate Similarity NPC198160
0.7295 Intermediate Similarity NPC478075
0.7289 Intermediate Similarity NPC160100
0.7289 Intermediate Similarity NPC208364
0.7277 Intermediate Similarity NPC87560
0.7259 Intermediate Similarity NPC262725
0.7251 Intermediate Similarity NPC268223
0.7235 Intermediate Similarity NPC97746
0.7225 Intermediate Similarity NPC58209
0.7217 Intermediate Similarity NPC2905
0.7217 Intermediate Similarity NPC148391
0.7209 Intermediate Similarity NPC118154
0.7209 Intermediate Similarity NPC157983
0.7206 Intermediate Similarity NPC5374
0.7186 Intermediate Similarity NPC471650
0.7179 Intermediate Similarity NPC5167
0.717 Intermediate Similarity NPC114468
0.7163 Intermediate Similarity NPC288987
0.7162 Intermediate Similarity NPC173250
0.7157 Intermediate Similarity NPC234933
0.7156 Intermediate Similarity NPC218303
0.7149 Intermediate Similarity NPC217176
0.7143 Intermediate Similarity NPC472163
0.713 Intermediate Similarity NPC203373
0.7123 Intermediate Similarity NPC116178
0.7116 Intermediate Similarity NPC134702
0.7116 Intermediate Similarity NPC182853
0.7105 Intermediate Similarity NPC299582
0.7097 Intermediate Similarity NPC76478
0.7092 Intermediate Similarity NPC85613
0.7091 Intermediate Similarity NPC13249
0.7089 Intermediate Similarity NPC217903
0.7089 Intermediate Similarity NPC321166
0.7088 Intermediate Similarity NPC471647
0.7088 Intermediate Similarity NPC471646
0.7079 Intermediate Similarity NPC114039
0.7079 Intermediate Similarity NPC473004
0.7079 Intermediate Similarity NPC206109
0.7078 Intermediate Similarity NPC122886
0.7056 Intermediate Similarity NPC176113
0.7053 Intermediate Similarity NPC204867
0.7048 Intermediate Similarity NPC308943
0.7032 Intermediate Similarity NPC314633
0.7028 Intermediate Similarity NPC474366
0.7018 Intermediate Similarity NPC118189
0.7018 Intermediate Similarity NPC7560
0.7009 Intermediate Similarity NPC329631
0.7005 Intermediate Similarity NPC166169
0.699 Remote Similarity NPC100863
0.6979 Remote Similarity NPC120513
0.6977 Remote Similarity NPC55470
0.6976 Remote Similarity NPC170333
0.6963 Remote Similarity NPC470481
0.6963 Remote Similarity NPC470482
0.6946 Remote Similarity NPC1820
0.6938 Remote Similarity NPC15987
0.693 Remote Similarity NPC168922
0.6923 Remote Similarity NPC138830
0.6919 Remote Similarity NPC477161
0.6916 Remote Similarity NPC295479
0.6916 Remote Similarity NPC220241
0.6916 Remote Similarity NPC187501
0.69 Remote Similarity NPC302235
0.6895 Remote Similarity NPC133817
0.6895 Remote Similarity NPC476443
0.6875 Remote Similarity NPC241263
0.6866 Remote Similarity NPC473007
0.6864 Remote Similarity NPC329830
0.685 Remote Similarity NPC27887
0.6845 Remote Similarity NPC198401
0.684 Remote Similarity NPC188400
0.684 Remote Similarity NPC246140
0.684 Remote Similarity NPC195787
0.6837 Remote Similarity NPC146418
0.6837 Remote Similarity NPC73280
0.6834 Remote Similarity NPC222524
0.6833 Remote Similarity NPC230683
0.6828 Remote Similarity NPC223873
0.682 Remote Similarity NPC185197
0.6816 Remote Similarity NPC285254
0.6812 Remote Similarity NPC477258
0.6806 Remote Similarity NPC10732
0.6802 Remote Similarity NPC94842
0.68 Remote Similarity NPC116096
0.6786 Remote Similarity NPC257851
0.6784 Remote Similarity NPC287152
0.6776 Remote Similarity NPC207873
0.6776 Remote Similarity NPC100573
0.6773 Remote Similarity NPC475609
0.6773 Remote Similarity NPC208084
0.6772 Remote Similarity NPC119669
0.6765 Remote Similarity NPC477259
0.6765 Remote Similarity NPC169387
0.6763 Remote Similarity NPC230313
0.6759 Remote Similarity NPC220337
0.6757 Remote Similarity NPC251071
0.6754 Remote Similarity NPC160113
0.6754 Remote Similarity NPC476220
0.6752 Remote Similarity NPC1608
0.675 Remote Similarity NPC283810
0.6732 Remote Similarity NPC473008
0.6731 Remote Similarity NPC308895
0.6729 Remote Similarity NPC222561
0.6727 Remote Similarity NPC77777
0.6725 Remote Similarity NPC154922
0.6716 Remote Similarity NPC21425
0.6714 Remote Similarity NPC163829
0.6712 Remote Similarity NPC234772
0.6703 Remote Similarity NPC216149
0.6703 Remote Similarity NPC208170
0.6698 Remote Similarity NPC288759
0.6697 Remote Similarity NPC39500
0.6683 Remote Similarity NPC243626
0.6682 Remote Similarity NPC45190
0.6682 Remote Similarity NPC67904
0.6681 Remote Similarity NPC39370
0.6667 Remote Similarity NPC218733
0.6667 Remote Similarity NPC265642
0.6667 Remote Similarity NPC132874
0.6667 Remote Similarity NPC116007
0.6667 Remote Similarity NPC138615
0.6667 Remote Similarity NPC225279
0.6667 Remote Similarity NPC101312
0.6667 Remote Similarity NPC298320
0.6649 Remote Similarity NPC242000
0.6638 Remote Similarity NPC304837
0.6638 Remote Similarity NPC476258
0.6637 Remote Similarity NPC157931
0.6637 Remote Similarity NPC470480
0.6637 Remote Similarity NPC74575
0.6636 Remote Similarity NPC133156
0.6635 Remote Similarity NPC470485
0.6614 Remote Similarity NPC144691
0.661 Remote Similarity NPC161801
0.6607 Remote Similarity NPC148124
0.6606 Remote Similarity NPC313327
0.6605 Remote Similarity NPC158551
0.66 Remote Similarity NPC8467
0.6594 Remote Similarity NPC473186
0.6594 Remote Similarity NPC49547
0.6593 Remote Similarity NPC476436
0.6593 Remote Similarity NPC470018
0.6588 Remote Similarity NPC215098
0.6588 Remote Similarity NPC73020
0.6588 Remote Similarity NPC124302
0.6588 Remote Similarity NPC70290
0.6588 Remote Similarity NPC14622
0.6588 Remote Similarity NPC46744
0.6585 Remote Similarity NPC83511
0.6581 Remote Similarity NPC113455
0.6577 Remote Similarity NPC184408
0.6577 Remote Similarity NPC46561
0.6575 Remote Similarity NPC266425
0.657 Remote Similarity NPC208890
0.6564 Remote Similarity NPC478078
0.6562 Remote Similarity NPC99724
0.6558 Remote Similarity NPC301292
0.6558 Remote Similarity NPC313112
0.655 Remote Similarity NPC470548
0.6549 Remote Similarity NPC179287
0.6547 Remote Similarity NPC222046
0.6545 Remote Similarity NPC232225
0.654 Remote Similarity NPC24228
0.6538 Remote Similarity NPC470483
0.6531 Remote Similarity NPC135006
0.6526 Remote Similarity NPC120671
0.6526 Remote Similarity NPC72788
0.6526 Remote Similarity NPC314100
0.6526 Remote Similarity NPC226652

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC112937 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
0.7919 Intermediate Similarity NPD6321 Discontinued
0.7537 Intermediate Similarity NPD4465 Phase 2
0.7537 Intermediate Similarity NPD4467 Phase 2
0.7474 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD6654 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD2906 Approved
0.7427 Intermediate Similarity NPD2907 Approved
0.7404 Intermediate Similarity NPD1945 Phase 1
0.7371 Intermediate Similarity NPD3783 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD5860 Discontinued
0.7344 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD4981 Phase 2
0.7327 Intermediate Similarity NPD3899 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD3940 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD2681 Approved
0.7211 Intermediate Similarity NPD2680 Approved
0.7206 Intermediate Similarity NPD1880 Phase 3
0.7198 Intermediate Similarity NPD4456 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD6199 Discontinued
0.7177 Intermediate Similarity NPD4082 Approved
0.7136 Intermediate Similarity NPD4515 Suspended
0.713 Intermediate Similarity NPD7858 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD4596 Phase 1
0.7123 Intermediate Similarity NPD4492 Approved
0.7123 Intermediate Similarity NPD4494 Approved
0.7123 Intermediate Similarity NPD7186 Phase 3
0.71 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD3472 Approved
0.7095 Intermediate Similarity NPD4022 Approved
0.7083 Intermediate Similarity NPD2899 Discontinued
0.7083 Intermediate Similarity NPD5183 Approved
0.7083 Intermediate Similarity NPD5186 Approved
0.7081 Intermediate Similarity NPD3507 Phase 2
0.7075 Intermediate Similarity NPD4493 Discontinued
0.7071 Intermediate Similarity NPD4078 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD5433 Clinical (unspecified phase)
0.7028 Intermediate Similarity NPD3372 Discontinued
0.7028 Intermediate Similarity NPD3893 Discontinued
0.7019 Intermediate Similarity NPD7627 Approved
0.7019 Intermediate Similarity NPD7626 Approved
0.7009 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6293 Clinical (unspecified phase)
0.699 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6478 Clinical (unspecified phase)
0.6963 Remote Similarity NPD3888 Discontinued
0.6954 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6944 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6938 Remote Similarity NPD956 Clinical (unspecified phase)
0.693 Remote Similarity NPD4455 Discontinued
0.6916 Remote Similarity NPD4846 Phase 2
0.6916 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6908 Remote Similarity NPD5071 Phase 2
0.6898 Remote Similarity NPD5293 Phase 2
0.6878 Remote Similarity NPD3912 Discontinued
0.6875 Remote Similarity NPD2778 Approved
0.6856 Remote Similarity NPD7560 Approved
0.6842 Remote Similarity NPD1769 Discontinued
0.6825 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6825 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6825 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6821 Remote Similarity NPD5847 Phase 1
0.6818 Remote Similarity NPD3437 Discontinued
0.6814 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6812 Remote Similarity NPD3964 Approved
0.6811 Remote Similarity NPD160 Clinical (unspecified phase)
0.681 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6808 Remote Similarity NPD7043 Discontinued
0.6806 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6804 Remote Similarity NPD4429 Discontinued
0.68 Remote Similarity NPD5022 Discontinued
0.6794 Remote Similarity NPD6874 Approved
0.6794 Remote Similarity NPD3297 Approved
0.6789 Remote Similarity NPD5025 Approved
0.6788 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6782 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6777 Remote Similarity NPD2779 Approved
0.6776 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6771 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6769 Remote Similarity NPD6457 Approved
0.6751 Remote Similarity NPD2246 Approved
0.6751 Remote Similarity NPD2248 Approved
0.674 Remote Similarity NPD7031 Phase 1
0.6718 Remote Similarity NPD1559 Discontinued
0.6714 Remote Similarity NPD5102 Clinical (unspecified phase)
0.6713 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5515 Phase 2
0.6698 Remote Similarity NPD7467 Discontinued
0.6684 Remote Similarity NPD2247 Approved
0.6684 Remote Similarity NPD2249 Approved
0.6682 Remote Similarity NPD6719 Approved
0.6682 Remote Similarity NPD2339 Phase 3
0.6667 Remote Similarity NPD6280 Approved
0.6667 Remote Similarity NPD7180 Phase 3
0.6667 Remote Similarity NPD6279 Approved
0.6667 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6652 Remote Similarity NPD6716 Phase 1
0.6652 Remote Similarity NPD7278 Phase 2
0.6652 Remote Similarity NPD4952 Phase 3
0.6652 Remote Similarity NPD7279 Phase 2
0.6652 Remote Similarity NPD5479 Discontinued
0.6652 Remote Similarity NPD3006 Discontinued
0.6648 Remote Similarity NPD743 Approved
0.6638 Remote Similarity NPD6625 Approved
0.6636 Remote Similarity NPD6644 Discontinued
0.6636 Remote Similarity NPD3298 Approved
0.6633 Remote Similarity NPD710 Clinical (unspecified phase)
0.6623 Remote Similarity NPD8157 Clinical (unspecified phase)
0.6622 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6621 Remote Similarity NPD3945 Discontinued
0.6619 Remote Similarity NPD5564 Approved
0.6615 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6609 Remote Similarity NPD2951 Discontinued
0.6609 Remote Similarity NPD6790 Phase 1
0.6606 Remote Similarity NPD683 Approved
0.6604 Remote Similarity NPD5457 Discontinued
0.6604 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6591 Remote Similarity NPD3257 Approved
0.6589 Remote Similarity NPD3802 Phase 3
0.6588 Remote Similarity NPD4420 Approved
0.658 Remote Similarity NPD7853 Phase 2
0.6575 Remote Similarity NPD7225 Discontinued
0.6565 Remote Similarity NPD4373 Phase 2
0.6558 Remote Similarity NPD3946 Clinical (unspecified phase)
0.655 Remote Similarity NPD7449 Clinical (unspecified phase)
0.655 Remote Similarity NPD3442 Approved
0.655 Remote Similarity NPD1867 Approved
0.655 Remote Similarity NPD3441 Approved
0.655 Remote Similarity NPD1467 Approved
0.655 Remote Similarity NPD1466 Phase 3
0.6538 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6538 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4496 Clinical (unspecified phase)
0.6516 Remote Similarity NPD7559 Phase 2
0.6507 Remote Similarity NPD1659 Phase 1
0.6495 Remote Similarity NPD7317 Phase 3
0.6495 Remote Similarity NPD6238 Discontinued
0.6495 Remote Similarity NPD3416 Discontinued
0.6492 Remote Similarity NPD1670 Discontinued
0.6485 Remote Similarity NPD5600 Discontinued
0.6485 Remote Similarity NPD1212 Approved
0.6484 Remote Similarity NPD3142 Approved
0.6484 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6484 Remote Similarity NPD3140 Approved
0.6481 Remote Similarity NPD4368 Phase 2
0.6473 Remote Similarity NPD6974 Phase 3
0.6473 Remote Similarity NPD5496 Approved
0.6473 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6473 Remote Similarity NPD3258 Approved
0.6471 Remote Similarity NPD6104 Discontinued
0.6468 Remote Similarity NPD4154 Approved
0.6468 Remote Similarity NPD3446 Phase 1
0.6465 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5005 Approved
0.6465 Remote Similarity NPD5006 Approved
0.6462 Remote Similarity NPD7238 Clinical (unspecified phase)
0.646 Remote Similarity NPD6160 Clinical (unspecified phase)
0.646 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6452 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6447 Remote Similarity NPD1307 Phase 2
0.6447 Remote Similarity NPD1309 Phase 2
0.6442 Remote Similarity NPD5620 Clinical (unspecified phase)
0.6442 Remote Similarity NPD7291 Discontinued
0.6441 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6441 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6439 Remote Similarity NPD1891 Discontinued
0.6432 Remote Similarity NPD5262 Discontinued
0.6432 Remote Similarity NPD5196 Approved
0.6432 Remote Similarity NPD5197 Approved
0.6432 Remote Similarity NPD7126 Discontinued
0.6432 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6432 Remote Similarity NPD7820 Phase 3
0.6432 Remote Similarity NPD5194 Approved
0.6429 Remote Similarity NPD7318 Phase 3
0.6422 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6421 Remote Similarity NPD1801 Approved
0.6421 Remote Similarity NPD1802 Approved
0.6419 Remote Similarity NPD4328 Approved
0.6418 Remote Similarity NPD5858 Discontinued
0.6416 Remote Similarity NPD4923 Phase 1
0.641 Remote Similarity NPD4958 Clinical (unspecified phase)
0.641 Remote Similarity NPD7048 Phase 3
0.641 Remote Similarity NPD6844 Discontinued
0.6409 Remote Similarity NPD3392 Approved
0.6407 Remote Similarity NPD1505 Phase 2
0.6405 Remote Similarity NPD8463 Approved
0.6404 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3925 Approved
0.6404 Remote Similarity NPD5312 Approved
0.6404 Remote Similarity NPD5313 Approved
0.6402 Remote Similarity NPD3295 Clinical (unspecified phase)
0.64 Remote Similarity NPD6808 Phase 2
0.6398 Remote Similarity NPD6181 Discontinued
0.6393 Remote Similarity NPD8027 Approved
0.6393 Remote Similarity NPD4859 Phase 1
0.6392 Remote Similarity NPD3684 Discontinued
0.639 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6388 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6386 Remote Similarity NPD5938 Phase 3

Structure

External Identifiers

PubChem CID   927945
ChEMBL   CHEMBL447997
ZINC  

Physicochemical Properties

Molecular Weight:  229.07
ALogP:  -0.3542
MLogP:  2.45
XLogP:  1.824
# Rotatable Bonds:  3
Polar Surface Area:  42.68
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  17

Download Data

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Biological Activities  
Similar NPs/Drugs