Natural Product: NPC160381

Natural Product ID:  NPC160381
Common Name:   Methyl Carbazole-3-Carboxylate
IUPAC Name:   methyl 9H-carbazole-3-carboxylate
Synonyms:   Methyl Carbazole-3-Carboxylate
Molecular Formula:   C14H11NO2
Standard InCHIKey:  LZXXHWWSVRIDGR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
Canonical SMILES:  COC(=O)c1ccc2c(c1)c1ccccc1[nH]2
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
NPO18135 Clausena vestita Species Rutaceae Eukaryota Whole Plants Yunnan Province, China 2008-JAN PMID[22093759]
NPO28639 Trixis grisebachii Species Asteraceae Eukaryota UNPD*
NPO29028 Cicer cuneatum Species Fabaceae Eukaryota UNPD*
NPO29497 Delphinium speciosum Species Ranunculaceae Eukaryota UNPD*
NPO27603 Populus candicans Species Salicaceae Eukaryota UNPD*
NPO21171 Rubus thibetanus Species Rosaceae Eukaryota UNPD*
NPO29518 Nardia scalaris Species Solenostomataceae Eukaryota UNPD*
NPO28943 Daldinia vernicosa Species Xylariaceae Eukaryota UNPD*
NPO29321 Octopus octopodia Species Octopodidae Eukaryota UNPD*
NPO28500 Griselinia scandens Species Griseliniaceae Eukaryota UNPD*
NPO9728 Quercus acuta Species Fagaceae Eukaryota UNPD*
NPO29387 Eudendrium racemosum Species Eudendriidae Eukaryota UNPD*
NPO24890 Iris sanguinea Species Iridaceae Eukaryota UNPD*
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria UNPD*
NPO23710 Otholobium pubescens Species Fabaceae Eukaryota UNPD*
NPO29073 Ipomoea carnea Species Convolvulaceae Eukaryota UNPD*
NPO25248 Gloydius blomhoffii Species Viperidae Eukaryota UNPD*
NPO28427 Gutenbergia marginata Species Asteraceae Eukaryota UNPD*
NPO27349 Rhododendron edgeworthii Species Ericaceae Eukaryota UNPD*
NPO28735 Helicia erratica Species Proteaceae Eukaryota UNPD*
NPO29161 Hyptis urticoides Species Lamiaceae Eukaryota UNPD*
NPO25073 Saccharina latissima Species Laminariaceae Eukaryota UNPD*
NPO1660 Ligularia subspicata Species Asteraceae Eukaryota UNPD*
NPO28961 Croton hutchinsonianus Species Euphorbiaceae Eukaryota UNPD*
NPO29180 Monachosorum maximowiczii Species Dennstaedtiaceae Eukaryota UNPD*
NPO19266 Clausena excavata Species Rutaceae Eukaryota TCMID*
NPO29035 Pseudomonas cichorii Species Pseudomonadaceae Bacteria UNPD*
NPO12271 Micromelum hirsutum Species Rutaceae Eukaryota TCMID*
NPO29095 Yucca elata Species Asparagaceae Eukaryota UNPD*
NPO28544 Podocalyx loranthoides Species Picrodendraceae Eukaryota UNPD*
NPO29461 Sarcophyton infundibuliforme Species Orchidaceae Eukaryota UNPD*
NPO29070 Bulbine asphodeloides Species Asphodelaceae Eukaryota UNPD*
NPO29109 Clausena anisata Species Rutaceae Eukaryota PMID[10650093]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 21.7 % 10650093
NPT2 Others Unspecified Activity = 46.3 % 10650093
NPT2 Others Unspecified Activity = 81.4 % 10650093
NPT2 Others Unspecified Activity = 100 % 10650093
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 10650093
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 10650093
NPT4846 Individual Protein Fructose-1,6-bisphosphatase 1 Mus musculus IC50 > 300000 nM 19143528
NPT832 Individual Protein Kinesin-like protein 1 Homo sapiens Inhibition = 3 % 20521839
NPT65 Cell Line HepG2 Homo sapiens IC50 = 36900 nM 22093759
NPT19 Organism Escherichia coli Escherichia coli MIC = 128 ug/ml 22482432
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 128 ug/ml 22482432
NPT91 Cell Line KB Homo sapiens IC50 = 59700 nM 22482432
NPT83 Cell Line MCF7 Homo sapiens IC50 = 169800 nM 22482432
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 95800 nM 22482432
NPT2 Others Unspecified IC50 = 4300 nM 24798144
NPT2 Others Unspecified IC50 > 10000 nM 24798144

  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 NPC160381 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
0.9066 High Similarity NPC300156
0.9016 High Similarity NPC4687
0.8967 High Similarity NPC39679
0.8824 High Similarity NPC87413
0.8757 High Similarity NPC45190
0.873 High Similarity NPC39500
0.871 High Similarity NPC249583
0.8684 High Similarity NPC116238
0.8684 High Similarity NPC118228
0.8639 High Similarity NPC3207
0.8613 High Similarity NPC84347
0.8602 High Similarity NPC132539
0.8594 High Similarity NPC169402
0.8549 High Similarity NPC184408
0.85 High Similarity NPC83111
0.8482 Intermediate Similarity NPC310211
0.8482 Intermediate Similarity NPC308137
0.8462 Intermediate Similarity NPC174760
0.8452 Intermediate Similarity NPC76982
0.8429 Intermediate Similarity NPC187501
0.8424 Intermediate Similarity NPC141454
0.8418 Intermediate Similarity NPC280799
0.8376 Intermediate Similarity NPC144452
0.8352 Intermediate Similarity NPC138370
0.8333 Intermediate Similarity NPC51388
0.829 Intermediate Similarity NPC118940
0.8265 Intermediate Similarity NPC247803
0.8265 Intermediate Similarity NPC46561
0.8254 Intermediate Similarity NPC165599
0.8247 Intermediate Similarity NPC89508
0.8223 Intermediate Similarity NPC208084
0.8187 Intermediate Similarity NPC303951
0.8182 Intermediate Similarity NPC150239
0.8177 Intermediate Similarity NPC210828
0.8177 Intermediate Similarity NPC86834
0.8168 Intermediate Similarity NPC274640
0.8163 Intermediate Similarity NPC36405
0.8144 Intermediate Similarity NPC9894
0.8144 Intermediate Similarity NPC23294
0.8141 Intermediate Similarity NPC198503
0.8125 Intermediate Similarity NPC321428
0.8125 Intermediate Similarity NPC283117
0.8122 Intermediate Similarity NPC312645
0.809 Intermediate Similarity NPC225279
0.8088 Intermediate Similarity NPC474688
0.8088 Intermediate Similarity NPC474701
0.8085 Intermediate Similarity NPC67288
0.8077 Intermediate Similarity NPC473189
0.8051 Intermediate Similarity NPC294375
0.8043 Intermediate Similarity NPC196251
0.8043 Intermediate Similarity NPC102338
0.8043 Intermediate Similarity NPC111602
0.8043 Intermediate Similarity NPC63199
0.8031 Intermediate Similarity NPC244741
0.802 Intermediate Similarity NPC179287
0.8011 Intermediate Similarity NPC55493
0.8 Intermediate Similarity NPC329858
0.7956 Intermediate Similarity NPC469896
0.7929 Intermediate Similarity NPC477979
0.7926 Intermediate Similarity NPC19692
0.7926 Intermediate Similarity NPC220151
0.7898 Intermediate Similarity NPC115232
0.7897 Intermediate Similarity NPC266249
0.788 Intermediate Similarity NPC282103
0.7872 Intermediate Similarity NPC472210
0.7872 Intermediate Similarity NPC247735
0.7872 Intermediate Similarity NPC81802
0.7872 Intermediate Similarity NPC472295
0.7872 Intermediate Similarity NPC269886
0.7865 Intermediate Similarity NPC471944
0.785 Intermediate Similarity NPC293151
0.7849 Intermediate Similarity NPC221873
0.7845 Intermediate Similarity NPC111275
0.7838 Intermediate Similarity NPC194040
0.7817 Intermediate Similarity NPC123839
0.7807 Intermediate Similarity NPC314333
0.7802 Intermediate Similarity NPC219336
0.7796 Intermediate Similarity NPC278434
0.7795 Intermediate Similarity NPC82053
0.7789 Intermediate Similarity NPC245916
0.7789 Intermediate Similarity NPC31700
0.7783 Intermediate Similarity NPC475844
0.7778 Intermediate Similarity NPC191310
0.7778 Intermediate Similarity NPC82370
0.7755 Intermediate Similarity NPC243850
0.7754 Intermediate Similarity NPC242928
0.7747 Intermediate Similarity NPC183662
0.7747 Intermediate Similarity NPC217372
0.7747 Intermediate Similarity NPC15573
0.774 Intermediate Similarity NPC8104
0.7737 Intermediate Similarity NPC131017
0.7732 Intermediate Similarity NPC474116
0.7732 Intermediate Similarity NPC162730
0.7725 Intermediate Similarity NPC472292
0.7723 Intermediate Similarity NPC473041
0.7723 Intermediate Similarity NPC96321
0.7714 Intermediate Similarity NPC39370
0.7709 Intermediate Similarity NPC78020
0.7708 Intermediate Similarity NPC306376
0.7705 Intermediate Similarity NPC88363
0.7703 Intermediate Similarity NPC473186
0.7696 Intermediate Similarity NPC472293
0.7692 Intermediate Similarity NPC56618
0.7668 Intermediate Similarity NPC241024
0.7656 Intermediate Similarity NPC267853
0.7656 Intermediate Similarity NPC70956
0.7656 Intermediate Similarity NPC243834
0.7644 Intermediate Similarity NPC276517
0.7642 Intermediate Similarity NPC6786
0.7629 Intermediate Similarity NPC199851
0.7629 Intermediate Similarity NPC312870
0.7629 Intermediate Similarity NPC294909
0.7629 Intermediate Similarity NPC128265
0.7629 Intermediate Similarity NPC254240
0.7629 Intermediate Similarity NPC214428
0.7627 Intermediate Similarity NPC322644
0.7624 Intermediate Similarity NPC152768
0.7624 Intermediate Similarity NPC148183
0.7619 Intermediate Similarity NPC244897
0.7617 Intermediate Similarity NPC72211
0.7609 Intermediate Similarity NPC55772
0.7604 Intermediate Similarity NPC79356
0.7604 Intermediate Similarity NPC102592
0.7602 Intermediate Similarity NPC134848
0.7598 Intermediate Similarity NPC74360
0.7596 Intermediate Similarity NPC192712
0.7596 Intermediate Similarity NPC267885
0.7592 Intermediate Similarity NPC88315
0.7588 Intermediate Similarity NPC284102
0.7584 Intermediate Similarity NPC214106
0.7581 Intermediate Similarity NPC212535
0.7577 Intermediate Similarity NPC472297
0.7577 Intermediate Similarity NPC472296
0.7577 Intermediate Similarity NPC128823
0.7576 Intermediate Similarity NPC314297
0.7576 Intermediate Similarity NPC315545
0.7566 Intermediate Similarity NPC175474
0.7562 Intermediate Similarity NPC473493
0.7554 Intermediate Similarity NPC145885
0.7554 Intermediate Similarity NPC14113
0.7554 Intermediate Similarity NPC84827
0.7553 Intermediate Similarity NPC315555
0.7552 Intermediate Similarity NPC205934
0.7552 Intermediate Similarity NPC43787
0.7551 Intermediate Similarity NPC57398
0.755 Intermediate Similarity NPC471304
0.7547 Intermediate Similarity NPC316411
0.7541 Intermediate Similarity NPC149155
0.7541 Intermediate Similarity NPC203468
0.7541 Intermediate Similarity NPC303225
0.7541 Intermediate Similarity NPC110500
0.754 Intermediate Similarity NPC190007
0.7539 Intermediate Similarity NPC67551
0.7538 Intermediate Similarity NPC213308
0.7537 Intermediate Similarity NPC330009
0.7537 Intermediate Similarity NPC469928
0.7526 Intermediate Similarity NPC154339
0.7526 Intermediate Similarity NPC131887
0.7526 Intermediate Similarity NPC472112
0.7525 Intermediate Similarity NPC313796
0.7525 Intermediate Similarity NPC314855
0.7525 Intermediate Similarity NPC313345
0.7525 Intermediate Similarity NPC315638
0.7515 Intermediate Similarity NPC179365
0.7514 Intermediate Similarity NPC126709
0.7514 Intermediate Similarity NPC213468
0.7514 Intermediate Similarity NPC248041
0.7513 Intermediate Similarity NPC476098
0.7513 Intermediate Similarity NPC70259
0.7512 Intermediate Similarity NPC478078
0.75 Intermediate Similarity NPC475190
0.75 Intermediate Similarity NPC94943
0.75 Intermediate Similarity NPC151635
0.75 Intermediate Similarity NPC267343
0.7488 Intermediate Similarity NPC315062
0.7487 Intermediate Similarity NPC280714
0.7487 Intermediate Similarity NPC270918
0.7487 Intermediate Similarity NPC176127
0.7487 Intermediate Similarity NPC74413
0.7486 Intermediate Similarity NPC16667
0.7477 Intermediate Similarity NPC15801
0.7463 Intermediate Similarity NPC314834
0.7462 Intermediate Similarity NPC260900
0.7461 Intermediate Similarity NPC181502
0.7461 Intermediate Similarity NPC202812
0.7461 Intermediate Similarity NPC85066
0.746 Intermediate Similarity NPC62749
0.7459 Intermediate Similarity NPC470509
0.7458 Intermediate Similarity NPC141353
0.7452 Intermediate Similarity NPC229893
0.7451 Intermediate Similarity NPC85702
0.7449 Intermediate Similarity NPC49196
0.7449 Intermediate Similarity NPC195461
0.7449 Intermediate Similarity NPC79129
0.7449 Intermediate Similarity NPC81654
0.7449 Intermediate Similarity NPC249150
0.7449 Intermediate Similarity NPC313985
0.7449 Intermediate Similarity NPC475151
0.7448 Intermediate Similarity NPC472113
0.7447 Intermediate Similarity NPC84478

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC160381 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
0.8503 High Similarity NPD5901 Discontinued
0.8376 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.8226 Intermediate Similarity NPD5003 Discontinued
0.8098 Intermediate Similarity NPD2565 Phase 2
0.8098 Intermediate Similarity NPD2564 Approved
0.8073 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.8041 Intermediate Similarity NPD4506 Discontinued
0.8011 Intermediate Similarity NPD2844 Phase 3
0.7989 Intermediate Similarity NPD4948 Discontinued
0.7927 Intermediate Similarity NPD3947 Discontinued
0.7895 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD6176 Phase 1
0.7865 Intermediate Similarity NPD1326 Approved
0.7865 Intermediate Similarity NPD1325 Approved
0.7849 Intermediate Similarity NPD1534 Approved
0.7807 Intermediate Similarity NPD4499 Approved
0.7806 Intermediate Similarity NPD2510 Approved
0.7806 Intermediate Similarity NPD2509 Approved
0.7795 Intermediate Similarity NPD2715 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD6770 Approved
0.7744 Intermediate Similarity NPD2721 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.7723 Intermediate Similarity NPD5632 Approved
0.7688 Intermediate Similarity NPD7470 Discontinued
0.7662 Intermediate Similarity NPD3257 Approved
0.7659 Intermediate Similarity NPD6995 Phase 1
0.7656 Intermediate Similarity NPD7688 Phase 1
0.7629 Intermediate Similarity NPD4501 Approved
0.7629 Intermediate Similarity NPD4500 Approved
0.7609 Intermediate Similarity NPD5398 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD2920 Discontinued
0.7596 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD6242 Discontinued
0.7541 Intermediate Similarity NPD482 Approved
0.754 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD3389 Approved
0.7537 Intermediate Similarity NPD3394 Approved
0.7537 Intermediate Similarity NPD3393 Approved
0.7525 Intermediate Similarity NPD7010 Phase 3
0.7512 Intermediate Similarity NPD3258 Approved
0.7488 Intermediate Similarity NPD3757 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD5913 Phase 3
0.7487 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD6987 Phase 1
0.7463 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6263 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD4601 Approved
0.7449 Intermediate Similarity NPD4600 Approved
0.7426 Intermediate Similarity NPD5475 Discontinued
0.7387 Intermediate Similarity NPD6323 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD56 Approved
0.7387 Intermediate Similarity NPD8283 Approved
0.7387 Intermediate Similarity NPD8282 Approved
0.7374 Intermediate Similarity NPD1630 Approved
0.7366 Intermediate Similarity NPD8160 Phase 2
0.7358 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD7946 Pre-registration
0.734 Intermediate Similarity NPD3178 Discontinued
0.7327 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD6630 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD3319 Phase 1
0.7302 Intermediate Similarity NPD2092 Phase 2
0.7302 Intermediate Similarity NPD2094 Phase 2
0.7302 Intermediate Similarity NPD3320 Approved
0.7302 Intermediate Similarity NPD2095 Phase 2
0.7302 Intermediate Similarity NPD3318 Approved
0.7297 Intermediate Similarity NPD750 Phase 2
0.7287 Intermediate Similarity NPD5473 Discontinued
0.7273 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD484 Approved
0.7268 Intermediate Similarity NPD3794 Approved
0.7268 Intermediate Similarity NPD3795 Approved
0.7264 Intermediate Similarity NPD4328 Approved
0.7263 Intermediate Similarity NPD2091 Phase 2
0.7263 Intermediate Similarity NPD2096 Phase 2
0.7253 Intermediate Similarity NPD1631 Approved
0.7222 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD5426 Phase 3
0.7212 Intermediate Similarity NPD7878 Phase 2
0.7196 Intermediate Similarity NPD4952 Phase 3
0.7194 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD8423 Phase 2
0.7192 Intermediate Similarity NPD8399 Phase 1
0.7171 Intermediate Similarity NPD5416 Discontinued
0.7166 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD5512 Phase 3
0.7143 Intermediate Similarity NPD5482 Discontinued
0.7136 Intermediate Similarity NPD8097 Phase 3
0.7136 Intermediate Similarity NPD8096 Phase 3
0.7126 Intermediate Similarity NPD1592 Phase 3
0.7122 Intermediate Similarity NPD648 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD4418 Discontinued
0.7104 Intermediate Similarity NPD3914 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD3259 Approved
0.7101 Intermediate Similarity NPD3243 Approved
0.7097 Intermediate Similarity NPD4373 Phase 2
0.709 Intermediate Similarity NPD7865 Approved
0.7079 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD1586 Approved
0.7062 Intermediate Similarity NPD1802 Approved
0.7062 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD1801 Approved
0.7056 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD1038 Approved
0.7053 Intermediate Similarity NPD8386 Phase 2
0.7051 Intermediate Similarity NPD4885 Approved
0.7044 Intermediate Similarity NPD6138 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD8098 Approved
0.7043 Intermediate Similarity NPD7708 Approved
0.7039 Intermediate Similarity NPD4462 Approved
0.7039 Intermediate Similarity NPD4463 Approved
0.7037 Intermediate Similarity NPD5479 Discontinued
0.7027 Intermediate Similarity NPD5430 Discontinued
0.7024 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD7994 Phase 2
0.7023 Intermediate Similarity NPD6292 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD7528 Approved
0.702 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD972 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6962 Phase 2
0.7005 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD1575 Approved
0.7005 Intermediate Similarity NPD1896 Approved
0.7005 Intermediate Similarity NPD1573 Approved
0.6994 Remote Similarity NPD1626 Approved
0.699 Remote Similarity NPD7941 Phase 3
0.6986 Remote Similarity NPD5293 Phase 2
0.6984 Remote Similarity NPD5919 Clinical (unspecified phase)
0.6984 Remote Similarity NPD5065 Approved
0.6982 Remote Similarity NPD6790 Phase 1
0.6978 Remote Similarity NPD8358 Approved
0.6976 Remote Similarity NPD5429 Discontinued
0.6971 Remote Similarity NPD7454 Approved
0.6971 Remote Similarity NPD7455 Approved
0.6967 Remote Similarity NPD7395 Discontinued
0.6967 Remote Similarity NPD4429 Discontinued
0.6965 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6965 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6965 Remote Similarity NPD2778 Approved
0.6965 Remote Similarity NPD6999 Discontinued
0.6963 Remote Similarity NPD1587 Approved
0.6957 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6955 Remote Similarity NPD5891 Approved
0.6954 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6946 Remote Similarity NPD553 Approved
0.6946 Remote Similarity NPD552 Approved
0.6946 Remote Similarity NPD9567 Approved
0.6944 Remote Similarity NPD3835 Phase 3
0.6944 Remote Similarity NPD3833 Phase 3
0.6942 Remote Similarity NPD5658 Approved
0.6942 Remote Similarity NPD6376 Discontinued
0.6936 Remote Similarity NPD2670 Approved
0.6935 Remote Similarity NPD3791 Clinical (unspecified phase)
0.6935 Remote Similarity NPD2915 Discontinued
0.6934 Remote Similarity NPD7404 Approved
0.6927 Remote Similarity NPD3003 Approved
0.6927 Remote Similarity NPD4888 Discontinued
0.6927 Remote Similarity NPD6452 Discontinued
0.6927 Remote Similarity NPD1867 Approved
0.6927 Remote Similarity NPD7001 Phase 3
0.6923 Remote Similarity NPD7803 Approved
0.6919 Remote Similarity NPD4376 Phase 3
0.6915 Remote Similarity NPD7778 Approved
0.6915 Remote Similarity NPD7777 Approved
0.6915 Remote Similarity NPD4397 Phase 1
0.6915 Remote Similarity NPD53 Approved
0.6911 Remote Similarity NPD6642 Approved
0.6911 Remote Similarity NPD6641 Approved
0.6911 Remote Similarity NPD2144 Approved
0.6901 Remote Similarity NPD1996 Discontinued
0.69 Remote Similarity NPD1871 Approved
0.69 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6898 Remote Similarity NPD4554 Clinical (unspecified phase)
0.6895 Remote Similarity NPD3746 Discontinued
0.6893 Remote Similarity NPD6838 Clinical (unspecified phase)
0.689 Remote Similarity NPD5866 Approved
0.689 Remote Similarity NPD8093 Discontinued
0.6887 Remote Similarity NPD3354 Phase 2
0.6878 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6878 Remote Similarity NPD3776 Discontinued
0.6872 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6869 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6863 Remote Similarity NPD2779 Approved
0.6863 Remote Similarity NPD5721 Clinical (unspecified phase)
0.686 Remote Similarity NPD2916 Discontinued
0.6858 Remote Similarity NPD5488 Discontinued
0.6857 Remote Similarity NPD8094 Discontinued
0.6854 Remote Similarity NPD5254 Discontinued
0.6853 Remote Similarity NPD7956 Approved
0.6853 Remote Similarity NPD7955 Approved
0.6852 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6847 Remote Similarity NPD5805 Approved
0.6847 Remote Similarity NPD6479 Discontinued
0.6845 Remote Similarity NPD7957 Phase 1

Structure

External Identifiers

PubChem CID   504069
ChEMBL   CHEMBL446253
ZINC  

Physicochemical Properties

Molecular Weight:  225.08
ALogP:  -0.4092
MLogP:  2.67
XLogP:  3.425
# Rotatable Bonds:  3
Polar Surface Area:  42.09
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

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