Natural Product: NPC254698

Natural Product ID:  NPC254698
Common Name:   Isatin
IUPAC Name:   1H-indole-2,3-dione
Synonyms:   Isatin
Molecular Formula:   C8H5NO2
Standard InCHIKey:  JXDYKVIHCLTXOP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
Canonical SMILES:  O=C1C(=O)Nc2c1cccc2
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
NPO1099 Capparis spinosa Species Capparaceae Eukaryota aerial parts and buds Cagliari, Sardinia 2012-FEB PMID[22769561]
NPO5812 Indigo naturalis NA NA NA TCMSP*
NPO4582 Baphicacanthus cusia Species Acanthaceae Eukaryota TM-MC*
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota TM-MC*
NPO9069 Persicaria tinctoria Species Polygonaceae Eukaryota TM-MC*
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota TCMID*
NPO12067 Senecio paucicazyculatus Species Asteraceae Eukaryota TCMID*
NPO19893 Senecio longifolius Species Asteraceae Eukaryota TCMID*
NPO12067 Senecio paucicazyculatus Species Asteraceae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-015-0840-5]
NPO19893 Senecio longifolius Species Asteraceae Eukaryota HerDing*
NPO31050 Isatis indigotica Species Brassicaceae Eukaryota TCM_Taiwan*
NPO31050 Isatis indigotica Species Brassicaceae Eukaryota HerDing*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO14536 Polygoni tinctorii foliu NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT791 Individual Protein Cruzipain Trypanosoma cruzi IC50 >> 10000 nM 14505663
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Ki = 3000 nM 16137882
NPT2 Others Unspecified Ki > 100000 nM 17378546
NPT166 Individual Protein Acyl coenzyme A:cholesterol acyltransferase Homo sapiens Ki > 100000 nM 17378546
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Ki > 100000 nM 17378546
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens Ki > 100000 nM 17378546
NPT466 Cell Line U-937 Homo sapiens IC50 = 565000 nM 17088067
NPT2 Others Unspecified IC50 > 50000 nM 19397322
NPT2 Others Unspecified IC50 = 8566 nM 19342233
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Ki = 15000 nM 19342233
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Ki = 3000 nM 19342233
NPT2 Others Unspecified Ratio Ki = 5 19342233
NPT2 Others Unspecified Ki = 12000 nM 19342233
NPT77 Individual Protein Transthyretin Homo sapiens IC50 > 50000 nM 19651509
NPT77 Individual Protein Transthyretin Homo sapiens Activity = 24 % 19651509
NPT466 Cell Line U-937 Homo sapiens IC50 = 562341.33 nM 20056518
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 84.36 % 19926363
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 16.62 % 19926363
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40 % 19926363
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 19926363
NPT2 Others Unspecified Ratio IC50 > 5.3 19926363
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 100000 nM 20206517
NPT2 Others Unspecified IC50 > 20000 nM 20206517
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40 % 20615716
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 20615716
NPT2 Others Unspecified Ratio IC50 > 5.3 20615716
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40.32 % 20615716
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 12.1 % 20615716
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 84.36 % 20615716
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 16.62 % 20615716
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 40000 nM 20715818
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 20715818
NPT2 Others Unspecified Ratio IC50 < 5.3 20715818
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18754 nM 20579890
NPT2 Others Unspecified Ratio IC50 > 5 20579890
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 7943.28 nM 20934874
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 56234.13 nM 20934874
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 31800 nM 21134756
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 12400 nM 21134756
NPT2 Others Unspecified Ratio Ki = 1.57 21134756
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Ki = 8380 nM 21134756
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Ki = 5340 nM 21134756
NPT466 Cell Line U-937 Homo sapiens IC50 = 565000 nM 21306903
NPT4684 Individual Protein Protein-glutamine gamma-glutamyltransferase Homo sapiens IC50 > 250000 nM 21215619
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 0 % 21696156
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 47.55 % 21696156
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Ki = 33 nM 21726069
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Ki = 15000 nM 21778064
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Ki = 3000 nM 21778064
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 21872365
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40 % 21872365
NPT2 Others Unspecified Ratio IC50 > 5.3 21872365
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 100000 nM 22386528
NPT136 Cell Line SK-N-SH Homo sapiens IC50 = 9840 nM 22386528
NPT81 Cell Line A549 Homo sapiens IC50 = 13500 nM 22386528
NPT171 Cell Line MRC5 Homo sapiens IC50 > 100000 nM 22386528
NPT10 Individual Protein Geminin Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 23153812
NPT2 Others Unspecified Ratio IC50 > 5.3 23153812
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40 % 23153812
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 > 250 ug/ml 22769561
NPT5465 Organism Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera Inhibition = 24 % 21838297
NPT5465 Organism Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera Inhibition = 52 % 21838297
NPT5466 Individual Protein Acetolactate synthase Arabidopsis thaliana Inhibition = 70 % 21838297
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 31.22 % 23207410
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 64.31 % 23207410
NPT2 Others Unspecified Ratio IC50 > 4.7 23207410
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 21070 nM 23207410
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40 % 23207410
NPT2 Others Unspecified Ratio Ki = 8 24140951
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Ki = 2000 nM 24140951
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Ki = 16000 nM 24140951
NPT139 Cell Line HT-29 Homo sapiens IC50 > 10000 nM 24360564
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 24360564
NPT111 Cell Line K562 Homo sapiens IC50 > 10000 nM 24360564
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 27084 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76333.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30388.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54039.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 685.9 nM PubChem BioAssay data set
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 10.1039/C0MD00014K
NPT2 Others Unspecified Ratio IC50 < 0.18 10.1039/C0MD00014K
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 40 % 10.1039/C0MD00014K
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 18750 nM 24746464
NPT2 Others Unspecified Ratio IC50 > 5.3 24746464
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Activity = 64.71 % 25532905
NPT15 Cell Line Jurkat Homo sapiens IC50 > 10000 nM 26890120
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 34390 nM 27135371
NPT2 Others Unspecified Ratio IC50 > 3 27135371

  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 NPC254698 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
0.8952 High Similarity NPC209389
0.8607 High Similarity NPC279385
0.8607 High Similarity NPC179605
0.8537 High Similarity NPC103292
0.8468 Intermediate Similarity NPC268534
0.8438 Intermediate Similarity NPC194562
0.8358 Intermediate Similarity NPC471164
0.8291 Intermediate Similarity NPC172170
0.8189 Intermediate Similarity NPC192533
0.8182 Intermediate Similarity NPC316104
0.8182 Intermediate Similarity NPC162417
0.8148 Intermediate Similarity NPC207554
0.808 Intermediate Similarity NPC291962
0.808 Intermediate Similarity NPC177684
0.8031 Intermediate Similarity NPC39818
0.8016 Intermediate Similarity NPC161956
0.8016 Intermediate Similarity NPC258531
0.8016 Intermediate Similarity NPC112373
0.7972 Intermediate Similarity NPC295021
0.7953 Intermediate Similarity NPC257490
0.7817 Intermediate Similarity NPC300596
0.7817 Intermediate Similarity NPC237649
0.7786 Intermediate Similarity NPC136002
0.7761 Intermediate Similarity NPC40364
0.766 Intermediate Similarity NPC130797
0.7612 Intermediate Similarity NPC187231
0.7571 Intermediate Similarity NPC471574
0.7535 Intermediate Similarity NPC470822
0.7519 Intermediate Similarity NPC322433
0.7447 Intermediate Similarity NPC43477
0.7403 Intermediate Similarity NPC471943
0.7391 Intermediate Similarity NPC253476
0.7372 Intermediate Similarity NPC207428
0.7338 Intermediate Similarity NPC173295
0.7333 Intermediate Similarity NPC58827
0.7333 Intermediate Similarity NPC72473
0.7333 Intermediate Similarity NPC307437
0.7324 Intermediate Similarity NPC2823
0.732 Intermediate Similarity NPC115232
0.7254 Intermediate Similarity NPC315051
0.7252 Intermediate Similarity NPC226143
0.7234 Intermediate Similarity NPC122553
0.7233 Intermediate Similarity NPC475094
0.7214 Intermediate Similarity NPC300299
0.7188 Intermediate Similarity NPC57051
0.7179 Intermediate Similarity NPC472118
0.7162 Intermediate Similarity NPC13526
0.7154 Intermediate Similarity NPC38262
0.712 Intermediate Similarity NPC55529
0.7107 Intermediate Similarity NPC75496
0.7107 Intermediate Similarity NPC151635
0.7101 Intermediate Similarity NPC472245
0.7101 Intermediate Similarity NPC477432
0.7078 Intermediate Similarity NPC214106
0.7075 Intermediate Similarity NPC146370
0.7068 Intermediate Similarity NPC130931
0.7063 Intermediate Similarity NPC83214
0.7059 Intermediate Similarity NPC472244
0.7059 Intermediate Similarity NPC470343
0.7055 Intermediate Similarity NPC477003
0.7014 Intermediate Similarity NPC242933
0.6985 Remote Similarity NPC226794
0.6981 Remote Similarity NPC177261
0.6959 Remote Similarity NPC324445
0.6954 Remote Similarity NPC117032
0.6923 Remote Similarity NPC113056
0.6923 Remote Similarity NPC138293
0.6906 Remote Similarity NPC122235
0.6906 Remote Similarity NPC150863
0.6875 Remote Similarity NPC252572
0.6859 Remote Similarity NPC257763
0.6857 Remote Similarity NPC280807
0.6857 Remote Similarity NPC314431
0.6835 Remote Similarity NPC279527
0.6835 Remote Similarity NPC214960
0.6828 Remote Similarity NPC469560
0.6821 Remote Similarity NPC473329
0.6809 Remote Similarity NPC316746
0.6805 Remote Similarity NPC476460
0.6803 Remote Similarity NPC472241
0.6786 Remote Similarity NPC473666
0.6781 Remote Similarity NPC130251
0.6772 Remote Similarity NPC42372
0.6748 Remote Similarity NPC284775
0.6746 Remote Similarity NPC324091
0.6735 Remote Similarity NPC301760
0.6735 Remote Similarity NPC470301
0.6735 Remote Similarity NPC316202
0.673 Remote Similarity NPC114637
0.673 Remote Similarity NPC182131
0.6728 Remote Similarity NPC475594
0.6711 Remote Similarity NPC144691
0.6707 Remote Similarity NPC133003
0.6694 Remote Similarity NPC291070
0.6694 Remote Similarity NPC246757
0.6688 Remote Similarity NPC309531
0.6688 Remote Similarity NPC472102
0.6687 Remote Similarity NPC475607
0.6687 Remote Similarity NPC117027
0.6667 Remote Similarity NPC314223
0.6667 Remote Similarity NPC229353
0.6667 Remote Similarity NPC472242
0.6667 Remote Similarity NPC472243
0.6667 Remote Similarity NPC88110
0.6646 Remote Similarity NPC474081
0.6626 Remote Similarity NPC469529
0.6626 Remote Similarity NPC470548
0.6606 Remote Similarity NPC475761
0.6606 Remote Similarity NPC474041
0.6588 Remote Similarity NPC221873
0.6575 Remote Similarity NPC471123
0.6562 Remote Similarity NPC233380
0.6561 Remote Similarity NPC76982
0.6561 Remote Similarity NPC222029
0.6541 Remote Similarity NPC176983
0.6541 Remote Similarity NPC242116
0.6541 Remote Similarity NPC293458
0.6541 Remote Similarity NPC286871
0.6534 Remote Similarity NPC477004
0.6533 Remote Similarity NPC314287
0.6531 Remote Similarity NPC287358
0.6527 Remote Similarity NPC191415
0.6524 Remote Similarity NPC293216
0.6522 Remote Similarity NPC471652
0.6519 Remote Similarity NPC276085
0.6508 Remote Similarity NPC326792
0.6503 Remote Similarity NPC355
0.6478 Remote Similarity NPC315368
0.6474 Remote Similarity NPC251391
0.6471 Remote Similarity NPC150308
0.6467 Remote Similarity NPC283810
0.6467 Remote Similarity NPC475685
0.6462 Remote Similarity NPC79618
0.6462 Remote Similarity NPC20322
0.646 Remote Similarity NPC2414
0.6458 Remote Similarity NPC314098
0.6457 Remote Similarity NPC79356
0.6457 Remote Similarity NPC102592
0.6456 Remote Similarity NPC477887
0.6456 Remote Similarity NPC113946
0.645 Remote Similarity NPC21429
0.6449 Remote Similarity NPC150323
0.6429 Remote Similarity NPC105811
0.6429 Remote Similarity NPC197335
0.6424 Remote Similarity NPC308197
0.6424 Remote Similarity NPC469537
0.6419 Remote Similarity NPC159722
0.6415 Remote Similarity NPC154478
0.6415 Remote Similarity NPC474492
0.6412 Remote Similarity NPC302790
0.6408 Remote Similarity NPC250476
0.6405 Remote Similarity NPC478039
0.6398 Remote Similarity NPC189116
0.6392 Remote Similarity NPC84317
0.6391 Remote Similarity NPC181390
0.6391 Remote Similarity NPC470205
0.6391 Remote Similarity NPC314659
0.6386 Remote Similarity NPC471743
0.6382 Remote Similarity NPC314186
0.638 Remote Similarity NPC224970
0.638 Remote Similarity NPC167724
0.638 Remote Similarity NPC223595
0.6376 Remote Similarity NPC181527
0.6375 Remote Similarity NPC27904
0.6375 Remote Similarity NPC93653
0.6374 Remote Similarity NPC17273
0.6374 Remote Similarity NPC135601
0.6374 Remote Similarity NPC141612
0.637 Remote Similarity NPC113099
0.6369 Remote Similarity NPC281094
0.6358 Remote Similarity NPC71132
0.6358 Remote Similarity NPC154339
0.6352 Remote Similarity NPC61013
0.6352 Remote Similarity NPC123241
0.6346 Remote Similarity NPC313889
0.6346 Remote Similarity NPC66936
0.6345 Remote Similarity NPC231382
0.6343 Remote Similarity NPC304203
0.6343 Remote Similarity NPC326422
0.6335 Remote Similarity NPC88970
0.6331 Remote Similarity NPC470677
0.6323 Remote Similarity NPC242000
0.6316 Remote Similarity NPC129412
0.6316 Remote Similarity NPC114033
0.6316 Remote Similarity NPC478040
0.6316 Remote Similarity NPC58268
0.6316 Remote Similarity NPC101130
0.6312 Remote Similarity NPC36495
0.6312 Remote Similarity NPC193410
0.6306 Remote Similarity NPC70406
0.6304 Remote Similarity NPC228515
0.6303 Remote Similarity NPC292265
0.6299 Remote Similarity NPC467188
0.6299 Remote Similarity NPC259678
0.6298 Remote Similarity NPC317701
0.6296 Remote Similarity NPC204867
0.6294 Remote Similarity NPC102755
0.6294 Remote Similarity NPC470317
0.6289 Remote Similarity NPC29285
0.6282 Remote Similarity NPC123906

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC254698 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
0.8182 Intermediate Similarity NPD1175 Approved
0.7907 Intermediate Similarity NPD1640 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD1541 Approved
0.782 Intermediate Similarity NPD486 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD2790 Discontinued
0.7704 Intermediate Similarity NPD1527 Phase 2
0.7655 Intermediate Similarity NPD1854 Approved
0.7634 Intermediate Similarity NPD9539 Approved
0.7634 Intermediate Similarity NPD9541 Approved
0.7612 Intermediate Similarity NPD2918 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD2919 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD2331 Discontinued
0.7538 Intermediate Similarity NPD1079 Discontinued
0.7535 Intermediate Similarity NPD5918 Discontinued
0.7519 Intermediate Similarity NPD9540 Approved
0.7429 Intermediate Similarity NPD1626 Approved
0.7426 Intermediate Similarity NPD1619 Phase 3
0.7405 Intermediate Similarity NPD1123 Approved
0.7405 Intermediate Similarity NPD1124 Approved
0.7372 Intermediate Similarity NPD1919 Approved
0.7372 Intermediate Similarity NPD1920 Approved
0.7357 Intermediate Similarity NPD6342 Discontinued
0.7319 Intermediate Similarity NPD2949 Approved
0.7319 Intermediate Similarity NPD2950 Approved
0.7319 Intermediate Similarity NPD441 Approved
0.7317 Intermediate Similarity NPD1064 Approved
0.7317 Intermediate Similarity NPD1065 Approved
0.7279 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6768 Approved
0.7267 Intermediate Similarity NPD951 Approved
0.7241 Intermediate Similarity NPD6017 Discontinued
0.7222 Intermediate Similarity NPD1625 Approved
0.7211 Intermediate Similarity NPD979 Approved
0.72 Intermediate Similarity NPD7072 Phase 2
0.7194 Intermediate Similarity NPD6740 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD1874 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD922 Approved
0.7153 Intermediate Similarity NPD6566 Discontinued
0.7153 Intermediate Similarity NPD1781 Discontinued
0.7153 Intermediate Similarity NPD1189 Approved
0.7121 Intermediate Similarity NPD1306 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD4464 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1222 Discontinued
0.7059 Intermediate Similarity NPD1574 Approved
0.705 Intermediate Similarity NPD4300 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD2365 Approved
0.6986 Remote Similarity NPD2820 Phase 3
0.698 Remote Similarity NPD4888 Discontinued
0.6959 Remote Similarity NPD1524 Phase 1
0.6954 Remote Similarity NPD3248 Phase 1
0.6948 Remote Similarity NPD33 Approved
0.6948 Remote Similarity NPD4393 Approved
0.6923 Remote Similarity NPD5227 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3387 Approved
0.6917 Remote Similarity NPD1668 Clinical (unspecified phase)
0.6906 Remote Similarity NPD4549 Discontinued
0.6892 Remote Similarity NPD5933 Phase 3
0.6892 Remote Similarity NPD5932 Phase 3
0.6892 Remote Similarity NPD5931 Phase 3
0.6884 Remote Similarity NPD1593 Approved
0.6884 Remote Similarity NPD797 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4939 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4942 Approved
0.6863 Remote Similarity NPD4042 Phase 2
0.6863 Remote Similarity NPD4045 Phase 2
0.6849 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6838 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6512 Approved
0.6803 Remote Similarity NPD6513 Approved
0.6797 Remote Similarity NPD1342 Approved
0.6776 Remote Similarity NPD1230 Approved
0.6769 Remote Similarity NPD3865 Approved
0.6765 Remote Similarity NPD1517 Clinical (unspecified phase)
0.6759 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5024 Approved
0.6736 Remote Similarity NPD2470 Clinical (unspecified phase)
0.6736 Remote Similarity NPD1228 Phase 2
0.6735 Remote Similarity NPD4461 Discontinued
0.6735 Remote Similarity NPD2010 Phase 3
0.6709 Remote Similarity NPD3790 Phase 2
0.6693 Remote Similarity NPD2192 Approved
0.6693 Remote Similarity NPD2197 Approved
0.6692 Remote Similarity NPD1323 Discontinued
0.669 Remote Similarity NPD1207 Approved
0.669 Remote Similarity NPD1206 Approved
0.669 Remote Similarity NPD1190 Approved
0.6689 Remote Similarity NPD168 Phase 1
0.6689 Remote Similarity NPD167 Phase 2
0.6667 Remote Similarity NPD1531 Approved
0.6667 Remote Similarity NPD1099 Approved
0.6667 Remote Similarity NPD1100 Approved
0.6645 Remote Similarity NPD4161 Discontinued
0.6625 Remote Similarity NPD4645 Clinical (unspecified phase)
0.6622 Remote Similarity NPD3625 Discontinued
0.6617 Remote Similarity NPD853 Approved
0.6617 Remote Similarity NPD851 Approved
0.6605 Remote Similarity NPD5727 Clinical (unspecified phase)
0.6604 Remote Similarity NPD923 Approved
0.6603 Remote Similarity NPD1211 Clinical (unspecified phase)
0.6603 Remote Similarity NPD1208 Approved
0.6603 Remote Similarity NPD2836 Approved
0.6601 Remote Similarity NPD5748 Phase 2
0.6599 Remote Similarity NPD7254 Discontinued
0.6596 Remote Similarity NPD1560 Clinical (unspecified phase)
0.6587 Remote Similarity NPD708 Approved
0.6587 Remote Similarity NPD813 Approved
0.6584 Remote Similarity NPD2413 Phase 2
0.6582 Remote Similarity NPD3747 Discontinued
0.6581 Remote Similarity NPD5086 Approved
0.6554 Remote Similarity NPD1209 Approved
0.6554 Remote Similarity NPD1205 Approved
0.6543 Remote Similarity NPD2369 Discontinued
0.6541 Remote Similarity NPD5180 Approved
0.6541 Remote Similarity NPD5179 Approved
0.6541 Remote Similarity NPD5181 Approved
0.6536 Remote Similarity NPD5942 Approved
0.6536 Remote Similarity NPD5941 Approved
0.6531 Remote Similarity NPD1532 Approved
0.6531 Remote Similarity NPD6358 Phase 2
0.6524 Remote Similarity NPD7662 Clinical (unspecified phase)
0.6522 Remote Similarity NPD678 Discontinued
0.6519 Remote Similarity NPD1344 Phase 2
0.6512 Remote Similarity NPD990 Approved
0.6512 Remote Similarity NPD993 Approved
0.6508 Remote Similarity NPD479 Approved
0.6507 Remote Similarity NPD1410 Phase 1
0.65 Remote Similarity NPD2288 Clinical (unspecified phase)
0.6497 Remote Similarity NPD1663 Discontinued
0.6486 Remote Similarity NPD7142 Discontinued
0.6485 Remote Similarity NPD1544 Phase 1
0.6479 Remote Similarity NPD5993 Phase 1
0.6474 Remote Similarity NPD2360 Approved
0.6474 Remote Similarity NPD7612 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7088 Discontinued
0.6467 Remote Similarity NPD7014 Clinical (unspecified phase)
0.6467 Remote Similarity NPD3482 Approved
0.6462 Remote Similarity NPD1054 Approved
0.6458 Remote Similarity NPD1069 Approved
0.6458 Remote Similarity NPD1070 Approved
0.6457 Remote Similarity NPD2196 Discontinued
0.6449 Remote Similarity NPD9272 Approved
0.6442 Remote Similarity NPD5186 Approved
0.6442 Remote Similarity NPD5183 Approved
0.6438 Remote Similarity NPD1210 Approved
0.6433 Remote Similarity NPD4988 Discontinued
0.6429 Remote Similarity NPD787 Suspended
0.6424 Remote Similarity NPD2461 Phase 1
0.6415 Remote Similarity NPD1630 Approved
0.6407 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6407 Remote Similarity NPD3079 Approved
0.6407 Remote Similarity NPD3078 Approved
0.6407 Remote Similarity NPD3077 Approved
0.6407 Remote Similarity NPD3076 Approved
0.64 Remote Similarity NPD9477 Approved
0.6392 Remote Similarity NPD7105 Phase 1
0.6389 Remote Similarity NPD5131 Approved
0.6382 Remote Similarity NPD3481 Approved
0.6382 Remote Similarity NPD4046 Approved
0.6382 Remote Similarity NPD4043 Approved
0.638 Remote Similarity NPD2404 Discontinued
0.638 Remote Similarity NPD2037 Approved
0.6376 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6375 Remote Similarity NPD4311 Approved
0.637 Remote Similarity NPD1073 Approved
0.637 Remote Similarity NPD1075 Approved
0.637 Remote Similarity NPD1074 Approved
0.6369 Remote Similarity NPD3989 Phase 3
0.6364 Remote Similarity NPD1802 Approved
0.6364 Remote Similarity NPD4848 Phase 1
0.6364 Remote Similarity NPD1801 Approved
0.6349 Remote Similarity NPD466 Approved
0.6347 Remote Similarity NPD3792 Approved
0.6347 Remote Similarity NPD5840 Discontinued
0.6345 Remote Similarity NPD2754 Discontinued
0.6331 Remote Similarity NPD3990 Phase 3
0.6323 Remote Similarity NPD7528 Approved
0.6312 Remote Similarity NPD1360 Approved
0.6308 Remote Similarity NPD1677 Discontinued
0.6303 Remote Similarity NPD2432 Approved
0.6303 Remote Similarity NPD2431 Approved
0.6299 Remote Similarity NPD742 Approved
0.6296 Remote Similarity NPD1631 Approved
0.6294 Remote Similarity NPD3318 Approved
0.6294 Remote Similarity NPD3320 Approved
0.6294 Remote Similarity NPD3245 Phase 3
0.6294 Remote Similarity NPD9567 Approved
0.6294 Remote Similarity NPD553 Approved
0.6294 Remote Similarity NPD3319 Phase 1
0.6294 Remote Similarity NPD552 Approved
0.6294 Remote Similarity NPD3244 Pre-registration
0.6289 Remote Similarity NPD2351 Discontinued
0.6284 Remote Similarity NPD2791 Discontinued
0.6275 Remote Similarity NPD4347 Clinical (unspecified phase)
0.6272 Remote Similarity NPD5473 Discontinued
0.6272 Remote Similarity NPD2481 Approved
0.6272 Remote Similarity NPD2479 Phase 3
0.6272 Remote Similarity NPD4330 Approved
0.6272 Remote Similarity NPD4329 Approved
0.6269 Remote Similarity NPD3001 Approved

Structure

External Identifiers

PubChem CID   7054
ChEMBL   CHEMBL326294
ZINC  

Physicochemical Properties

Molecular Weight:  147.03
ALogP:  -0.8986
MLogP:  2.01
XLogP:  1.653
# Rotatable Bonds:  0
Polar Surface Area:  46.17
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  11

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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