Natural Product: NPC278681

Natural Product ID:  NPC278681
Common Name:   n.a.
IUPAC Name:  
Synonyms:   19-Hydroxydesacetylcinobufagin
Molecular Formula:   C24H32O6
Standard InCHIKey:  XDCJWJYMHNAEQH-DFJCLZAPSA-N
Standard InCHI:  InChI=1S/C24H32O6/c1-22-8-7-16-17(4-3-14-10-15(26)6-9-23(14,16)12-25)24(22)21(30-24)20(28)19(22)13-2-5-18(27)29-11-13/h2,5,11,14-17,19-21,25-26,28H,3-4,6-10,12H2,1H3/t14-,15+,16+,17-,19+,20-,21-,22-,23-,24-/m1/s1
Canonical SMILES:  OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO11981 Bufo gargarizans Species Bufonidae Eukaryota TCMID*
NPO8733 Duttaphrynus melanostictus Species Bufonidae Eukaryota TCMID*
NPO12735 Halimeda macroloba Species Halimedaceae Eukaryota UNPD*
NPO10672 Vitex megapotamica Species Lamiaceae Eukaryota UNPD*
NPO11515 Streptomyces plumbeus Species Streptomycetaceae Bacteria UNPD*
NPO4797 Gavia immer Species Gaviidae Eukaryota UNPD*
NPO2917 Artemisia oranensis Species Asteraceae Eukaryota UNPD*
NPO12952 Cabucala madagascariensis Species Apocynaceae Eukaryota UNPD*
NPO223 Rhaponticum carthamoides Species Asteraceae Eukaryota UNPD*
NPO6887 Lytanthus salicinus NA NA NA UNPD*
NPO9398 Cortinarius rubellus Species Cortinariaceae Eukaryota UNPD*
NPO12012 Saururus cernuus Species Saururaceae Eukaryota UNPD*
NPO9576 Bufo bufo Species Bufonidae Eukaryota UNPD*
NPO664 Potentilla multifida Species Rosaceae Eukaryota UNPD*
NPO10043 Phebalium ozothamnoides Species Rutaceae Eukaryota UNPD*
NPO2498 Kochia trichophylla Species Chenopodiaceae Eukaryota UNPD*
NPO19205 Buxus sempervirens Species Buxaceae Eukaryota UNPD*
NPO5177 Lecanora conizaeoides Species Lecanoraceae Eukaryota UNPD*
NPO3983 Piper futokadsura Species Piperaceae Eukaryota UNPD*
NPO18636 Hesperocyparis macrocarpa Species Cupressaceae Eukaryota UNPD*
NPO26231 Vicia villosa Species Fabaceae Eukaryota UNPD*
NPO12250 Strychnos fendleri Species Loganiaceae Eukaryota UNPD*
NPO7884 Centaurea amara Species Asteraceae Eukaryota UNPD*
NPO6011 Pleurotus citrinopileatus Species Pleurotaceae Eukaryota UNPD*
NPO21463 Aruncus dioicus Species Rosaceae Eukaryota UNPD*
NPO7543 Haplopappus venetus Species Asteraceae Eukaryota UNPD*
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 3.9 ug/ml 11575946
NPT116 Cell Line HL-60 Homo sapiens IC50 = 0.49 ug/ml 11575946
NPT1366 Cell Line MH60 Mus musculus IC50 > 25 ug/ml 11575946

  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 NPC278681 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
0.9909 High Similarity NPC112936
0.9908 High Similarity NPC16701
0.9818 High Similarity NPC35171
0.9818 High Similarity NPC213761
0.9817 High Similarity NPC157380
0.9817 High Similarity NPC185287
0.9364 High Similarity NPC171126
0.9298 High Similarity NPC312481
0.9273 High Similarity NPC44537
0.9266 High Similarity NPC103491
0.9174 High Similarity NPC75389
0.9138 High Similarity NPC6193
0.9083 High Similarity NPC275060
0.8991 High Similarity NPC79298
0.8991 High Similarity NPC43063
0.8983 High Similarity NPC159499
0.8919 High Similarity NPC12795
0.8909 High Similarity NPC304276
0.8909 High Similarity NPC137462
0.8727 High Similarity NPC295843
0.8716 High Similarity NPC171014
0.8684 High Similarity NPC241977
0.8673 High Similarity NPC470076
0.8559 High Similarity NPC41123
0.8559 High Similarity NPC220217
0.8559 High Similarity NPC119855
0.8559 High Similarity NPC145074
0.8559 High Similarity NPC257610
0.8559 High Similarity NPC114939
0.8534 High Similarity NPC113425
0.8534 High Similarity NPC232564
0.8522 High Similarity NPC154815
0.8509 High Similarity NPC183603
0.8487 Intermediate Similarity NPC233500
0.8475 Intermediate Similarity NPC219656
0.8475 Intermediate Similarity NPC153085
0.8475 Intermediate Similarity NPC268326
0.8468 Intermediate Similarity NPC165969
0.8462 Intermediate Similarity NPC290693
0.8448 Intermediate Similarity NPC216665
0.8435 Intermediate Similarity NPC247760
0.8417 Intermediate Similarity NPC196130
0.8417 Intermediate Similarity NPC115349
0.8403 Intermediate Similarity NPC79579
0.8393 Intermediate Similarity NPC265502
0.8393 Intermediate Similarity NPC469960
0.8393 Intermediate Similarity NPC186668
0.8393 Intermediate Similarity NPC93026
0.8393 Intermediate Similarity NPC29389
0.8378 Intermediate Similarity NPC472821
0.8376 Intermediate Similarity NPC470075
0.8361 Intermediate Similarity NPC179261
0.8348 Intermediate Similarity NPC71680
0.8347 Intermediate Similarity NPC219804
0.8333 Intermediate Similarity NPC67569
0.8319 Intermediate Similarity NPC29639
0.8319 Intermediate Similarity NPC305260
0.8319 Intermediate Similarity NPC304260
0.8319 Intermediate Similarity NPC469959
0.8319 Intermediate Similarity NPC44899
0.8319 Intermediate Similarity NPC472263
0.8319 Intermediate Similarity NPC5883
0.8319 Intermediate Similarity NPC108682
0.8319 Intermediate Similarity NPC270850
0.8319 Intermediate Similarity NPC469957
0.8306 Intermediate Similarity NPC221414
0.8304 Intermediate Similarity NPC472822
0.8291 Intermediate Similarity NPC471633
0.8291 Intermediate Similarity NPC43213
0.8291 Intermediate Similarity NPC84949
0.8291 Intermediate Similarity NPC69576
0.8291 Intermediate Similarity NPC31354
0.8288 Intermediate Similarity NPC470972
0.8279 Intermediate Similarity NPC8374
0.8264 Intermediate Similarity NPC23786
0.8264 Intermediate Similarity NPC471082
0.8264 Intermediate Similarity NPC470265
0.8261 Intermediate Similarity NPC16270
0.8261 Intermediate Similarity NPC15551
0.825 Intermediate Similarity NPC474370
0.8235 Intermediate Similarity NPC146786
0.8235 Intermediate Similarity NPC153440
0.823 Intermediate Similarity NPC470980
0.822 Intermediate Similarity NPC5311
0.822 Intermediate Similarity NPC99620
0.822 Intermediate Similarity NPC310341
0.822 Intermediate Similarity NPC193382
0.822 Intermediate Similarity NPC199428
0.8217 Intermediate Similarity NPC75616
0.8214 Intermediate Similarity NPC10232
0.8214 Intermediate Similarity NPC196471
0.8214 Intermediate Similarity NPC160583
0.8214 Intermediate Similarity NPC187302
0.8214 Intermediate Similarity NPC189588
0.8214 Intermediate Similarity NPC97487
0.8198 Intermediate Similarity NPC295110
0.8198 Intermediate Similarity NPC268829
0.8198 Intermediate Similarity NPC475617
0.8198 Intermediate Similarity NPC222875
0.8198 Intermediate Similarity NPC247701
0.8198 Intermediate Similarity NPC25177
0.8197 Intermediate Similarity NPC469789
0.8197 Intermediate Similarity NPC55602
0.8182 Intermediate Similarity NPC231518
0.8182 Intermediate Similarity NPC475219
0.8167 Intermediate Similarity NPC264954
0.8167 Intermediate Similarity NPC5292
0.8165 Intermediate Similarity NPC299654
0.8158 Intermediate Similarity NPC472820
0.8151 Intermediate Similarity NPC471351
0.8151 Intermediate Similarity NPC203862
0.8151 Intermediate Similarity NPC471355
0.8151 Intermediate Similarity NPC243196
0.8151 Intermediate Similarity NPC77319
0.8151 Intermediate Similarity NPC152615
0.8151 Intermediate Similarity NPC27507
0.8151 Intermediate Similarity NPC84987
0.8151 Intermediate Similarity NPC34390
0.8151 Intermediate Similarity NPC158344
0.8151 Intermediate Similarity NPC244402
0.8151 Intermediate Similarity NPC309034
0.8151 Intermediate Similarity NPC99728
0.8151 Intermediate Similarity NPC50305
0.8151 Intermediate Similarity NPC87250
0.8151 Intermediate Similarity NPC196429
0.8151 Intermediate Similarity NPC93883
0.8151 Intermediate Similarity NPC471354
0.8151 Intermediate Similarity NPC471353
0.8151 Intermediate Similarity NPC142066
0.8151 Intermediate Similarity NPC157376
0.8151 Intermediate Similarity NPC474418
0.8151 Intermediate Similarity NPC473852
0.8142 Intermediate Similarity NPC200861
0.8136 Intermediate Similarity NPC305044
0.8136 Intermediate Similarity NPC265290
0.8125 Intermediate Similarity NPC158350
0.812 Intermediate Similarity NPC150228
0.812 Intermediate Similarity NPC214005
0.812 Intermediate Similarity NPC241477
0.8115 Intermediate Similarity NPC193893
0.8115 Intermediate Similarity NPC88326
0.8115 Intermediate Similarity NPC153700
0.8115 Intermediate Similarity NPC107493
0.8108 Intermediate Similarity NPC79631
0.8103 Intermediate Similarity NPC177047
0.8099 Intermediate Similarity NPC474585
0.8099 Intermediate Similarity NPC184555
0.8087 Intermediate Similarity NPC50124
0.8083 Intermediate Similarity NPC83287
0.8083 Intermediate Similarity NPC472080
0.8083 Intermediate Similarity NPC709
0.8083 Intermediate Similarity NPC50774
0.807 Intermediate Similarity NPC472818
0.807 Intermediate Similarity NPC471206
0.8067 Intermediate Similarity NPC298278
0.8067 Intermediate Similarity NPC190286
0.8065 Intermediate Similarity NPC293112
0.8062 Intermediate Similarity NPC62172
0.8062 Intermediate Similarity NPC289700
0.8053 Intermediate Similarity NPC474124
0.8053 Intermediate Similarity NPC297617
0.8051 Intermediate Similarity NPC73050
0.8051 Intermediate Similarity NPC101965
0.8051 Intermediate Similarity NPC101400
0.8049 Intermediate Similarity NPC11895
0.8036 Intermediate Similarity NPC155974
0.8034 Intermediate Similarity NPC262083
0.8034 Intermediate Similarity NPC255401
0.8034 Intermediate Similarity NPC471484
0.8034 Intermediate Similarity NPC284162
0.8033 Intermediate Similarity NPC40749
0.8033 Intermediate Similarity NPC46570
0.8031 Intermediate Similarity NPC155529
0.8018 Intermediate Similarity NPC278673
0.8018 Intermediate Similarity NPC65700
0.8017 Intermediate Similarity NPC30483
0.8017 Intermediate Similarity NPC475041
0.8017 Intermediate Similarity NPC81222
0.8017 Intermediate Similarity NPC292467
0.8017 Intermediate Similarity NPC470897
0.8017 Intermediate Similarity NPC329905
0.8017 Intermediate Similarity NPC291820
0.8017 Intermediate Similarity NPC475030
0.8017 Intermediate Similarity NPC55532
0.8017 Intermediate Similarity NPC236973
0.8017 Intermediate Similarity NPC32177
0.8017 Intermediate Similarity NPC469756
0.8 Intermediate Similarity NPC140055
0.8 Intermediate Similarity NPC470492
0.8 Intermediate Similarity NPC286528
0.8 Intermediate Similarity NPC20302
0.8 Intermediate Similarity NPC167606
0.7984 Intermediate Similarity NPC81736
0.7984 Intermediate Similarity NPC172154
0.7984 Intermediate Similarity NPC8369
0.7982 Intermediate Similarity NPC473543
0.7982 Intermediate Similarity NPC472819
0.7967 Intermediate Similarity NPC170538
0.7966 Intermediate Similarity NPC470063
0.7966 Intermediate Similarity NPC98038

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC278681 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
0.8644 High Similarity NPD7503 Approved
0.8182 Intermediate Similarity NPD8033 Approved
0.8083 Intermediate Similarity NPD7327 Approved
0.8083 Intermediate Similarity NPD7328 Approved
0.8017 Intermediate Similarity NPD7516 Approved
0.8 Intermediate Similarity NPD7115 Discovery
0.7951 Intermediate Similarity NPD8377 Approved
0.7951 Intermediate Similarity NPD8294 Approved
0.7886 Intermediate Similarity NPD8378 Approved
0.7886 Intermediate Similarity NPD8296 Approved
0.7886 Intermediate Similarity NPD8380 Approved
0.7886 Intermediate Similarity NPD8379 Approved
0.7886 Intermediate Similarity NPD8335 Approved
0.7857 Intermediate Similarity NPD7638 Approved
0.7788 Intermediate Similarity NPD7640 Approved
0.7788 Intermediate Similarity NPD7639 Approved
0.7638 Intermediate Similarity NPD7507 Approved
0.7565 Intermediate Similarity NPD5344 Discontinued
0.7478 Intermediate Similarity NPD6648 Approved
0.7462 Intermediate Similarity NPD7319 Approved
0.7381 Intermediate Similarity NPD6319 Approved
0.7377 Intermediate Similarity NPD6053 Discontinued
0.7317 Intermediate Similarity NPD4632 Approved
0.7273 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD7736 Approved
0.7241 Intermediate Similarity NPD4225 Approved
0.7236 Intermediate Similarity NPD8297 Approved
0.7232 Intermediate Similarity NPD7838 Discovery
0.7203 Intermediate Similarity NPD7632 Discontinued
0.719 Intermediate Similarity NPD6899 Approved
0.719 Intermediate Similarity NPD6881 Approved
0.7154 Intermediate Similarity NPD7492 Approved
0.7109 Intermediate Similarity NPD6054 Approved
0.7107 Intermediate Similarity NPD5697 Approved
0.7099 Intermediate Similarity NPD6616 Approved
0.7077 Intermediate Similarity NPD7604 Phase 2
0.7073 Intermediate Similarity NPD6883 Approved
0.7073 Intermediate Similarity NPD7102 Approved
0.7073 Intermediate Similarity NPD7290 Approved
0.7049 Intermediate Similarity NPD6686 Approved
0.7045 Intermediate Similarity NPD7078 Approved
0.7025 Intermediate Similarity NPD6402 Approved
0.7025 Intermediate Similarity NPD7128 Approved
0.7025 Intermediate Similarity NPD6008 Approved
0.7025 Intermediate Similarity NPD5739 Approved
0.7025 Intermediate Similarity NPD6675 Approved
0.7016 Intermediate Similarity NPD8130 Phase 1
0.7016 Intermediate Similarity NPD6847 Approved
0.7016 Intermediate Similarity NPD6649 Approved
0.7016 Intermediate Similarity NPD6617 Approved
0.7016 Intermediate Similarity NPD6650 Approved
0.7016 Intermediate Similarity NPD6869 Approved
0.7008 Intermediate Similarity NPD6009 Approved
0.7 Intermediate Similarity NPD6370 Approved
0.6992 Remote Similarity NPD6014 Approved
0.6992 Remote Similarity NPD6013 Approved
0.6992 Remote Similarity NPD6012 Approved
0.6967 Remote Similarity NPD6412 Phase 2
0.6964 Remote Similarity NPD7524 Approved
0.696 Remote Similarity NPD6882 Approved
0.6935 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6935 Remote Similarity NPD4634 Approved
0.6923 Remote Similarity NPD5983 Phase 2
0.6923 Remote Similarity NPD6016 Approved
0.6923 Remote Similarity NPD6015 Approved
0.6911 Remote Similarity NPD6011 Approved
0.6911 Remote Similarity NPD7320 Approved
0.6905 Remote Similarity NPD8133 Approved
0.687 Remote Similarity NPD5988 Approved
0.687 Remote Similarity NPD7637 Suspended
0.6855 Remote Similarity NPD6372 Approved
0.6855 Remote Similarity NPD6373 Approved
0.6847 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6059 Approved
0.6842 Remote Similarity NPD6051 Approved
0.6842 Remote Similarity NPD6336 Discontinued
0.6833 Remote Similarity NPD4159 Approved
0.6829 Remote Similarity NPD5701 Approved
0.68 Remote Similarity NPD6371 Approved
0.6791 Remote Similarity NPD8293 Discontinued
0.6789 Remote Similarity NPD7525 Registered
0.6777 Remote Similarity NPD5211 Phase 2
0.6757 Remote Similarity NPD6695 Phase 3
0.675 Remote Similarity NPD5285 Approved
0.675 Remote Similarity NPD5286 Approved
0.675 Remote Similarity NPD4696 Approved
0.6723 Remote Similarity NPD6084 Phase 2
0.6723 Remote Similarity NPD6083 Phase 2
0.6694 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5141 Approved
0.6641 Remote Similarity NPD7101 Approved
0.6641 Remote Similarity NPD7100 Approved
0.6639 Remote Similarity NPD4633 Approved
0.6639 Remote Similarity NPD5226 Approved
0.6639 Remote Similarity NPD5224 Approved
0.6639 Remote Similarity NPD5225 Approved
0.6638 Remote Similarity NPD6698 Approved
0.6638 Remote Similarity NPD46 Approved
0.6614 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5174 Approved
0.6585 Remote Similarity NPD5175 Approved
0.6583 Remote Similarity NPD4755 Approved
0.6565 Remote Similarity NPD6335 Approved
0.6557 Remote Similarity NPD5223 Approved
0.6541 Remote Similarity NPD8513 Phase 3
0.6538 Remote Similarity NPD6274 Approved
0.6531 Remote Similarity NPD7625 Phase 1
0.6529 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6399 Phase 3
0.6525 Remote Similarity NPD4202 Approved
0.6522 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4250 Approved
0.6522 Remote Similarity NPD4251 Approved
0.6522 Remote Similarity NPD7750 Discontinued
0.6508 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6489 Remote Similarity NPD6317 Approved
0.6486 Remote Similarity NPD6931 Approved
0.6486 Remote Similarity NPD6930 Phase 2
0.6486 Remote Similarity NPD7514 Phase 3
0.6475 Remote Similarity NPD7260 Phase 2
0.6475 Remote Similarity NPD4700 Approved
0.6471 Remote Similarity NPD7748 Approved
0.6466 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6446 Remote Similarity NPD7902 Approved
0.6443 Remote Similarity NPD7236 Approved
0.6441 Remote Similarity NPD6079 Approved
0.6441 Remote Similarity NPD5284 Approved
0.6441 Remote Similarity NPD7515 Phase 2
0.6441 Remote Similarity NPD8035 Phase 2
0.6441 Remote Similarity NPD5281 Approved
0.6441 Remote Similarity NPD8034 Phase 2
0.6439 Remote Similarity NPD6314 Approved
0.6439 Remote Similarity NPD6313 Approved
0.6435 Remote Similarity NPD4249 Approved
0.6429 Remote Similarity NPD6902 Approved
0.6429 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6933 Approved
0.6418 Remote Similarity NPD8517 Approved
0.6418 Remote Similarity NPD8515 Approved
0.6418 Remote Similarity NPD8516 Approved
0.6417 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6417 Remote Similarity NPD5695 Phase 3
0.6396 Remote Similarity NPD4195 Approved
0.6396 Remote Similarity NPD6929 Approved
0.6393 Remote Similarity NPD5696 Approved
0.6378 Remote Similarity NPD4730 Approved
0.6378 Remote Similarity NPD4729 Approved
0.6377 Remote Similarity NPD6033 Approved
0.6364 Remote Similarity NPD6932 Approved
0.6348 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6339 Remote Similarity NPD7332 Phase 2
0.6324 Remote Similarity NPD6067 Discontinued
0.6324 Remote Similarity NPD8328 Phase 3
0.6306 Remote Similarity NPD7145 Approved
0.6303 Remote Similarity NPD5693 Phase 1
0.6303 Remote Similarity NPD7087 Discontinued
0.6296 Remote Similarity NPD6908 Approved
0.6296 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6909 Approved
0.6293 Remote Similarity NPD7146 Approved
0.6293 Remote Similarity NPD6409 Approved
0.6293 Remote Similarity NPD7334 Approved
0.6293 Remote Similarity NPD5330 Approved
0.6293 Remote Similarity NPD7521 Approved
0.6293 Remote Similarity NPD6684 Approved
0.6281 Remote Similarity NPD5210 Approved
0.6281 Remote Similarity NPD4629 Approved
0.6279 Remote Similarity NPD5250 Approved
0.6279 Remote Similarity NPD5247 Approved
0.6279 Remote Similarity NPD5251 Approved
0.6279 Remote Similarity NPD5248 Approved
0.6279 Remote Similarity NPD5249 Phase 3
0.6273 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6271 Remote Similarity NPD5328 Approved
0.6271 Remote Similarity NPD4753 Phase 2
0.625 Remote Similarity NPD7645 Phase 2
0.625 Remote Similarity NPD5128 Approved
0.6239 Remote Similarity NPD6924 Approved
0.6239 Remote Similarity NPD6926 Approved
0.6234 Remote Similarity NPD7239 Suspended
0.6231 Remote Similarity NPD5215 Approved
0.6231 Remote Similarity NPD5216 Approved
0.6231 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6231 Remote Similarity NPD5217 Approved
0.623 Remote Similarity NPD5220 Clinical (unspecified phase)
0.623 Remote Similarity NPD5222 Approved
0.623 Remote Similarity NPD5221 Approved
0.622 Remote Similarity NPD4767 Approved
0.622 Remote Similarity NPD7799 Discontinued
0.622 Remote Similarity NPD4768 Approved
0.6218 Remote Similarity NPD5785 Approved
0.6216 Remote Similarity NPD5776 Phase 2
0.6216 Remote Similarity NPD6925 Approved
0.6207 Remote Similarity NPD6893 Approved
0.6202 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6198 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6198 Remote Similarity NPD7900 Approved
0.6195 Remote Similarity NPD4822 Approved
0.6195 Remote Similarity NPD4821 Approved
0.6195 Remote Similarity NPD4819 Approved

Structure

External Identifiers

PubChem CID   15513543
ChEMBL   CHEMBL518554
ZINC  

Physicochemical Properties

Molecular Weight:  416.22
ALogP:  -1.9541
MLogP:  3.44
XLogP:  1.529
# Rotatable Bonds:  6
Polar Surface Area:  99.52
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  30

Download Data

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Biological Activities  
Similar NPs/Drugs