Natural Product: NPC261388

Natural Product ID:  NPC261388
Common Name:   Kealiinine C
IUPAC Name:   5,6,7-trimethoxy-4-(4-methoxyphenyl)-1-methylbenzo[f]benzimidazol-2-amine
Synonyms:  
Molecular Formula:   C22H23N3O4
Standard InCHIKey:  LFZBJMWIAAPZLM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H23N3O4/c1-25-15-10-13-11-16(27-3)20(28-4)21(29-5)18(13)17(19(15)24-22(25)23)12-6-8-14(26-2)9-7-12/h6-11H,1-5H3,(H2,23,24)
Canonical SMILES:  COc1ccc(cc1)c1c2c(cc(c(c2OC)OC)OC)cc2c1[nH]c(=N)n2C
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
NPO25094 Artemisia princeps Species Asteraceae Eukaryota UNPD*
NPO24342 Lupinus albus Species Fabaceae Eukaryota UNPD*
NPO28861 Cladonia graciliformis Species Cladoniaceae Eukaryota UNPD*
NPO29255 Salvia chinensis Species Lamiaceae Eukaryota UNPD*
NPO29025 Streptomyces nojiriensis Species Streptomycetaceae Bacteria UNPD*
NPO29473 Amycolatopsis mediterranei Species Pseudonocardiaceae Bacteria UNPD*
NPO29065 Hypoxis rooperi Species Hypoxidaceae Eukaryota UNPD*
NPO29043 Hypoxylon oceanicum Species Xylariaceae Eukaryota UNPD*
NPO29470 Anhalonium fissuratum NA NA NA UNPD*
NPO28968 Teucrium flavum Species Lamiaceae Eukaryota UNPD*
NPO29124 Argemone squarrosa Species Papaveraceae Eukaryota UNPD*
NPO29238 Heterocondylus vitalbae Species Asteraceae Eukaryota UNPD*
NPO29509 Leucetta chagosensis Species Leucettidae Eukaryota UNPD*
NPO24421.1 Agave salmiana var. ferox Varieties Asparagaceae Eukaryota UNPD*
NPO17683 Cryptocarya moschata Species Lauraceae Eukaryota UNPD*
NPO29434 Centaurea involucrata Species Asteraceae Eukaryota UNPD*
NPO644 Pseudopestalotiopsis theae Species Sporocadaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 100000 nM 24076171

  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 NPC261388 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
0.9341 High Similarity NPC79213
0.8995 High Similarity NPC25897
0.8148 Intermediate Similarity NPC190461
0.8041 Intermediate Similarity NPC312531
0.7989 Intermediate Similarity NPC285941
0.7835 Intermediate Similarity NPC249405
0.7806 Intermediate Similarity NPC320088
0.7755 Intermediate Similarity NPC219170
0.7755 Intermediate Similarity NPC180253
0.7744 Intermediate Similarity NPC276060
0.7707 Intermediate Similarity NPC244606
0.7707 Intermediate Similarity NPC156728
0.7704 Intermediate Similarity NPC276674
0.7704 Intermediate Similarity NPC33902
0.7692 Intermediate Similarity NPC179704
0.7635 Intermediate Similarity NPC212163
0.7629 Intermediate Similarity NPC287588
0.7626 Intermediate Similarity NPC22928
0.7592 Intermediate Similarity NPC204947
0.7588 Intermediate Similarity NPC474904
0.7562 Intermediate Similarity NPC78284
0.7562 Intermediate Similarity NPC302001
0.7561 Intermediate Similarity NPC295676
0.7525 Intermediate Similarity NPC29472
0.7513 Intermediate Similarity NPC32413
0.7513 Intermediate Similarity NPC474506
0.75 Intermediate Similarity NPC260118
0.75 Intermediate Similarity NPC23219
0.7474 Intermediate Similarity NPC19520
0.7474 Intermediate Similarity NPC149090
0.7462 Intermediate Similarity NPC470879
0.7462 Intermediate Similarity NPC215747
0.7462 Intermediate Similarity NPC258695
0.7462 Intermediate Similarity NPC192939
0.7449 Intermediate Similarity NPC265383
0.7449 Intermediate Similarity NPC112575
0.7402 Intermediate Similarity NPC162653
0.7387 Intermediate Similarity NPC28425
0.7382 Intermediate Similarity NPC24954
0.738 Intermediate Similarity NPC114124
0.7374 Intermediate Similarity NPC474507
0.7337 Intermediate Similarity NPC119579
0.7327 Intermediate Similarity NPC296742
0.7316 Intermediate Similarity NPC476572
0.7302 Intermediate Similarity NPC325871
0.7302 Intermediate Similarity NPC99659
0.7296 Intermediate Similarity NPC239775
0.7292 Intermediate Similarity NPC247251
0.7286 Intermediate Similarity NPC311936
0.7277 Intermediate Similarity NPC224293
0.7277 Intermediate Similarity NPC57036
0.7273 Intermediate Similarity NPC173416
0.7273 Intermediate Similarity NPC13397
0.7273 Intermediate Similarity NPC476577
0.7273 Intermediate Similarity NPC148709
0.7268 Intermediate Similarity NPC476432
0.7268 Intermediate Similarity NPC24264
0.7264 Intermediate Similarity NPC302275
0.7255 Intermediate Similarity NPC294244
0.7246 Intermediate Similarity NPC193906
0.7246 Intermediate Similarity NPC23080
0.7245 Intermediate Similarity NPC6152
0.7245 Intermediate Similarity NPC118274
0.7245 Intermediate Similarity NPC168753
0.7241 Intermediate Similarity NPC476576
0.7241 Intermediate Similarity NPC112676
0.7241 Intermediate Similarity NPC186546
0.7231 Intermediate Similarity NPC247389
0.7228 Intermediate Similarity NPC69213
0.7216 Intermediate Similarity NPC302527
0.7216 Intermediate Similarity NPC225774
0.7216 Intermediate Similarity NPC167546
0.7216 Intermediate Similarity NPC16805
0.7211 Intermediate Similarity NPC244112
0.7183 Intermediate Similarity NPC100573
0.7183 Intermediate Similarity NPC207873
0.7179 Intermediate Similarity NPC219341
0.7173 Intermediate Similarity NPC203784
0.7173 Intermediate Similarity NPC170503
0.7173 Intermediate Similarity NPC126519
0.7143 Intermediate Similarity NPC81733
0.7143 Intermediate Similarity NPC210918
0.7143 Intermediate Similarity NPC326316
0.7136 Intermediate Similarity NPC117717
0.7114 Intermediate Similarity NPC243454
0.7114 Intermediate Similarity NPC475479
0.7108 Intermediate Similarity NPC14507
0.7108 Intermediate Similarity NPC214116
0.7108 Intermediate Similarity NPC47077
0.7108 Intermediate Similarity NPC477186
0.7098 Intermediate Similarity NPC7393
0.7092 Intermediate Similarity NPC86144
0.7092 Intermediate Similarity NPC304659
0.7092 Intermediate Similarity NPC68328
0.7085 Intermediate Similarity NPC477020
0.7085 Intermediate Similarity NPC192135
0.7085 Intermediate Similarity NPC66341
0.7081 Intermediate Similarity NPC17677
0.7079 Intermediate Similarity NPC239584
0.7071 Intermediate Similarity NPC26240
0.7071 Intermediate Similarity NPC477562
0.7071 Intermediate Similarity NPC69712
0.7062 Intermediate Similarity NPC232924
0.7062 Intermediate Similarity NPC306902
0.7062 Intermediate Similarity NPC477559
0.7062 Intermediate Similarity NPC160298
0.7062 Intermediate Similarity NPC266753
0.7056 Intermediate Similarity NPC12053
0.7056 Intermediate Similarity NPC308943
0.7056 Intermediate Similarity NPC81218
0.7056 Intermediate Similarity NPC471604
0.7056 Intermediate Similarity NPC222561
0.7056 Intermediate Similarity NPC145832
0.7056 Intermediate Similarity NPC117188
0.7056 Intermediate Similarity NPC306555
0.7056 Intermediate Similarity NPC158376
0.7056 Intermediate Similarity NPC205421
0.7056 Intermediate Similarity NPC474931
0.7053 Intermediate Similarity NPC478093
0.7041 Intermediate Similarity NPC136508
0.7041 Intermediate Similarity NPC13504
0.7041 Intermediate Similarity NPC78222
0.7041 Intermediate Similarity NPC477563
0.7041 Intermediate Similarity NPC306843
0.7041 Intermediate Similarity NPC96603
0.7041 Intermediate Similarity NPC196447
0.7041 Intermediate Similarity NPC253043
0.7041 Intermediate Similarity NPC212794
0.7039 Intermediate Similarity NPC82763
0.7039 Intermediate Similarity NPC281581
0.7035 Intermediate Similarity NPC76682
0.7035 Intermediate Similarity NPC317439
0.7035 Intermediate Similarity NPC10908
0.7035 Intermediate Similarity NPC276890
0.7035 Intermediate Similarity NPC63646
0.7035 Intermediate Similarity NPC198498
0.7035 Intermediate Similarity NPC227060
0.7035 Intermediate Similarity NPC115284
0.7035 Intermediate Similarity NPC317145
0.7031 Intermediate Similarity NPC123323
0.703 Intermediate Similarity NPC267408
0.7026 Intermediate Similarity NPC113455
0.7023 Intermediate Similarity NPC90185
0.7019 Intermediate Similarity NPC256124
0.7019 Intermediate Similarity NPC473589
0.7019 Intermediate Similarity NPC478091
0.7019 Intermediate Similarity NPC478092
0.7019 Intermediate Similarity NPC30182
0.701 Intermediate Similarity NPC135772
0.7 Intermediate Similarity NPC129518
0.7 Intermediate Similarity NPC228040
0.7 Intermediate Similarity NPC12424
0.7 Intermediate Similarity NPC41376
0.7 Intermediate Similarity NPC251580
0.6996 Remote Similarity NPC122463
0.6995 Remote Similarity NPC476574
0.6995 Remote Similarity NPC477561
0.6995 Remote Similarity NPC159101
0.6995 Remote Similarity NPC312918
0.6995 Remote Similarity NPC155442
0.699 Remote Similarity NPC324144
0.699 Remote Similarity NPC189470
0.6986 Remote Similarity NPC55470
0.698 Remote Similarity NPC114364
0.698 Remote Similarity NPC320223
0.6976 Remote Similarity NPC95426
0.6976 Remote Similarity NPC16357
0.6976 Remote Similarity NPC302245
0.6965 Remote Similarity NPC477558
0.6965 Remote Similarity NPC128560
0.6965 Remote Similarity NPC199465
0.6965 Remote Similarity NPC229166
0.6961 Remote Similarity NPC299990
0.6961 Remote Similarity NPC73492
0.695 Remote Similarity NPC231371
0.6947 Remote Similarity NPC211296
0.6947 Remote Similarity NPC219162
0.6942 Remote Similarity NPC139783
0.6942 Remote Similarity NPC65312
0.6936 Remote Similarity NPC120239
0.6931 Remote Similarity NPC293093
0.6919 Remote Similarity NPC13916
0.6919 Remote Similarity NPC35627
0.6919 Remote Similarity NPC223077
0.6919 Remote Similarity NPC81247
0.6919 Remote Similarity NPC476573
0.6919 Remote Similarity NPC56887
0.6919 Remote Similarity NPC193853
0.6919 Remote Similarity NPC264850
0.6916 Remote Similarity NPC237978
0.6912 Remote Similarity NPC195538
0.691 Remote Similarity NPC217554
0.6908 Remote Similarity NPC275680
0.6908 Remote Similarity NPC22115
0.6904 Remote Similarity NPC1229
0.6901 Remote Similarity NPC471489
0.69 Remote Similarity NPC75958
0.6895 Remote Similarity NPC130941
0.6894 Remote Similarity NPC284141
0.6891 Remote Similarity NPC292003

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC261388 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
0.805 Intermediate Similarity NPD3515 Approved
0.805 Intermediate Similarity NPD3516 Approved
0.7989 Intermediate Similarity NPD5810 Discontinued
0.7512 Intermediate Similarity NPD6612 Phase 2
0.7337 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6996 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD5966 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7032 Approved
0.722 Intermediate Similarity NPD6046 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD6788 Approved
0.7053 Intermediate Similarity NPD7125 Discontinued
0.7053 Intermediate Similarity NPD7262 Phase 1
0.7053 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD8099 Discontinued
0.7035 Intermediate Similarity NPD8251 Approved
0.7035 Intermediate Similarity NPD8252 Approved
0.703 Intermediate Similarity NPD1909 Discontinued
0.7 Intermediate Similarity NPD8156 Discontinued
0.6979 Remote Similarity NPD1440 Discontinued
0.697 Remote Similarity NPD4083 Discontinued
0.6965 Remote Similarity NPD7479 Phase 2
0.6954 Remote Similarity NPD3984 Clinical (unspecified phase)
0.6954 Remote Similarity NPD3983 Phase 3
0.6952 Remote Similarity NPD3301 Approved
0.6944 Remote Similarity NPD5658 Approved
0.6944 Remote Similarity NPD4859 Phase 1
0.6941 Remote Similarity NPD4356 Discontinued
0.6931 Remote Similarity NPD1424 Approved
0.6915 Remote Similarity NPD5600 Discontinued
0.6908 Remote Similarity NPD3408 Clinical (unspecified phase)
0.6906 Remote Similarity NPD5930 Phase 3
0.6898 Remote Similarity NPD6773 Clinical (unspecified phase)
0.689 Remote Similarity NPD6526 Approved
0.6889 Remote Similarity NPD7278 Phase 2
0.6889 Remote Similarity NPD7279 Phase 2
0.687 Remote Similarity NPD6723 Discontinued
0.6854 Remote Similarity NPD3290 Approved
0.6854 Remote Similarity NPD3289 Phase 3
0.6842 Remote Similarity NPD3633 Approved
0.6842 Remote Similarity NPD3634 Approved
0.683 Remote Similarity NPD5070 Clinical (unspecified phase)
0.6818 Remote Similarity NPD7225 Discontinued
0.6816 Remote Similarity NPD3489 Phase 3
0.6816 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6802 Remote Similarity NPD8149 Discontinued
0.6796 Remote Similarity NPD8053 Approved
0.6796 Remote Similarity NPD8054 Approved
0.6792 Remote Similarity NPD6527 Approved
0.6792 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6791 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5530 Phase 1
0.6773 Remote Similarity NPD4206 Approved
0.6772 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6030 Approved
0.6771 Remote Similarity NPD6031 Approved
0.6768 Remote Similarity NPD4796 Discontinued
0.6754 Remote Similarity NPD4584 Approved
0.6751 Remote Similarity NPD1742 Approved
0.6751 Remote Similarity NPD6230 Discontinued
0.6751 Remote Similarity NPD1743 Approved
0.6751 Remote Similarity NPD19 Approved
0.675 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6743 Remote Similarity NPD7263 Phase 2
0.6736 Remote Similarity NPD2883 Discontinued
0.6734 Remote Similarity NPD6037 Discontinued
0.6724 Remote Similarity NPD7922 Phase 1
0.6719 Remote Similarity NPD1351 Approved
0.6719 Remote Similarity NPD1349 Approved
0.6719 Remote Similarity NPD1350 Approved
0.6717 Remote Similarity NPD4055 Discovery
0.6716 Remote Similarity NPD3920 Phase 2
0.6714 Remote Similarity NPD5641 Discontinued
0.6682 Remote Similarity NPD5071 Phase 2
0.6681 Remote Similarity NPD3590 Clinical (unspecified phase)
0.6653 Remote Similarity NPD7955 Approved
0.6653 Remote Similarity NPD7956 Approved
0.6652 Remote Similarity NPD4080 Discontinued
0.6651 Remote Similarity NPD3631 Phase 3
0.665 Remote Similarity NPD5938 Phase 3
0.6637 Remote Similarity NPD3763 Approved
0.6636 Remote Similarity NPD7034 Discontinued
0.6635 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6626 Remote Similarity NPD7708 Approved
0.6619 Remote Similarity NPD3349 Phase 2
0.6617 Remote Similarity NPD4986 Clinical (unspecified phase)
0.6616 Remote Similarity NPD2358 Clinical (unspecified phase)
0.6612 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6608 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6608 Remote Similarity NPD6856 Discontinued
0.6606 Remote Similarity NPD6480 Clinical (unspecified phase)
0.6604 Remote Similarity NPD3922 Approved
0.6604 Remote Similarity NPD3924 Approved
0.6604 Remote Similarity NPD3921 Approved
0.6604 Remote Similarity NPD3923 Approved
0.6603 Remote Similarity NPD6339 Approved
0.6603 Remote Similarity NPD6340 Approved
0.6599 Remote Similarity NPD7298 Approved
0.6589 Remote Similarity NPD5582 Discontinued
0.6588 Remote Similarity NPD2843 Phase 2
0.6588 Remote Similarity NPD2845 Phase 2
0.6585 Remote Similarity NPD5560 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6584 Remote Similarity NPD3051 Approved
0.6573 Remote Similarity NPD5150 Phase 2
0.657 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6567 Remote Similarity NPD6767 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7124 Phase 2
0.656 Remote Similarity NPD3106 Clinical (unspecified phase)
0.6558 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6553 Remote Similarity NPD5900 Clinical (unspecified phase)
0.654 Remote Similarity NPD3398 Discontinued
0.6538 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6634 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6633 Phase 2
0.6532 Remote Similarity NPD3591 Approved
0.6532 Remote Similarity NPD3592 Approved
0.6528 Remote Similarity NPD6877 Discontinued
0.6526 Remote Similarity NPD4598 Approved
0.6526 Remote Similarity NPD4597 Approved
0.6522 Remote Similarity NPD6496 Clinical (unspecified phase)
0.652 Remote Similarity NPD4481 Phase 3
0.652 Remote Similarity NPD7803 Approved
0.652 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6518 Remote Similarity NPD3816 Phase 1
0.6518 Remote Similarity NPD3815 Phase 1
0.6515 Remote Similarity NPD6460 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6238 Discontinued
0.6514 Remote Similarity NPD7134 Clinical (unspecified phase)
0.651 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6504 Remote Similarity NPD5562 Approved
0.6504 Remote Similarity NPD5561 Approved
0.65 Remote Similarity NPD4581 Clinical (unspecified phase)
0.6498 Remote Similarity NPD4052 Clinical (unspecified phase)
0.6482 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6482 Remote Similarity NPD4585 Approved
0.648 Remote Similarity NPD814 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2970 Approved
0.6471 Remote Similarity NPD2969 Approved
0.6471 Remote Similarity NPD5680 Clinical (unspecified phase)
0.6462 Remote Similarity NPD4157 Discontinued
0.6462 Remote Similarity NPD7906 Approved
0.646 Remote Similarity NPD5903 Approved
0.646 Remote Similarity NPD5902 Approved
0.6456 Remote Similarity NPD4498 Clinical (unspecified phase)
0.645 Remote Similarity NPD2563 Approved
0.645 Remote Similarity NPD2560 Approved
0.6447 Remote Similarity NPD6357 Discontinued
0.6441 Remote Similarity NPD6494 Phase 2
0.6441 Remote Similarity NPD6625 Approved
0.6439 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6435 Remote Similarity NPD3964 Approved
0.6434 Remote Similarity NPD6243 Phase 3
0.6434 Remote Similarity NPD6244 Phase 3
0.6432 Remote Similarity NPD5720 Discontinued
0.6429 Remote Similarity NPD5976 Discontinued
0.6426 Remote Similarity NPD4996 Approved
0.6426 Remote Similarity NPD4995 Approved
0.6422 Remote Similarity NPD6071 Discontinued
0.6422 Remote Similarity NPD7545 Clinical (unspecified phase)
0.6422 Remote Similarity NPD4166 Phase 2
0.6422 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6422 Remote Similarity NPD8095 Phase 1
0.6404 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6404 Remote Similarity NPD5677 Discontinued
0.6404 Remote Similarity NPD3949 Clinical (unspecified phase)
0.64 Remote Similarity NPD6738 Phase 2
0.64 Remote Similarity NPD6737 Phase 2
0.6398 Remote Similarity NPD4885 Approved
0.6395 Remote Similarity NPD7051 Phase 3
0.6395 Remote Similarity NPD7050 Clinical (unspecified phase)
0.6393 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6392 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6384 Remote Similarity NPD4917 Discontinued
0.6383 Remote Similarity NPD4925 Approved
0.6381 Remote Similarity NPD6745 Discontinued
0.638 Remote Similarity NPD3804 Discontinued
0.6368 Remote Similarity NPD2917 Approved
0.6364 Remote Similarity NPD4005 Discontinued
0.6364 Remote Similarity NPD4017 Approved
0.6359 Remote Similarity NPD2489 Approved
0.6359 Remote Similarity NPD2804 Phase 1
0.6359 Remote Similarity NPD27 Approved
0.6356 Remote Similarity NPD5645 Phase 3
0.6354 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6351 Remote Similarity NPD4578 Approved
0.6351 Remote Similarity NPD4577 Approved
0.6348 Remote Similarity NPD3514 Clinical (unspecified phase)
0.6347 Remote Similarity NPD3541 Clinical (unspecified phase)
0.634 Remote Similarity NPD5241 Discontinued
0.6338 Remote Similarity NPD4663 Approved
0.6336 Remote Similarity NPD1954 Phase 1
0.6336 Remote Similarity NPD8311 Discontinued
0.6331 Remote Similarity NPD8442 Discontinued
0.633 Remote Similarity NPD4604 Approved
0.633 Remote Similarity NPD4605 Approved
0.6327 Remote Similarity NPD4502 Phase 2
0.6323 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6322 Remote Similarity NPD6473 Phase 1
0.6322 Remote Similarity NPD5833 Phase 1

Structure

External Identifiers

PubChem CID   23248791
ChEMBL   CHEMBL2441626
ZINC  

Physicochemical Properties

Molecular Weight:  393.17
ALogP:  -0.5744
MLogP:  3.11
XLogP:  4.051
# Rotatable Bonds:  10
Polar Surface Area:  76.04
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  29

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
Similar NPs/Drugs