Natural Product: NPC271974

Natural Product ID:  NPC271974
Common Name:   3-Epi-Betulinic Acid 3-O-Sulfate
IUPAC Name:   (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-sulfooxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Synonyms:  
Molecular Formula:   C30H48O6S
Standard InCHIKey:  YFXBKUYUDSKMET-ULZDWRHHSA-N
Standard InCHI:  InChI=1S/C30H48O6S/c1-18(2)19-10-15-30(25(31)32)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(36-37(33,34)35)26(3,4)21(27)11-14-29(22,28)7/h19-24H,1,8-17H2,2-7H3,(H,31,32)(H,33,34,35)/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1
Canonical SMILES:  CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@H](C1(C)C)OS(=O)(=O)O)C(=O)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
NPO14784 Hydnocarpus wightiana Species Achariaceae Eukaryota UNPD*
NPO3029 Daedalea dickinsii Species Coriolaceae Eukaryota UNPD*
NPO17087 Plagiomnium affine Species Mniaceae Eukaryota UNPD*
NPO29219 Primula veris Species Primulaceae Eukaryota UNPD*
NPO25041 Virola bicuhyba Species Myristicaceae Eukaryota UNPD*
NPO7990 Salsola somalensis Species Chenopodiaceae Eukaryota UNPD*
NPO25947 Bejaranoa semistriata Species Asteraceae Eukaryota UNPD*
NPO10814 Ilex latifolia Species Aquifoliaceae Eukaryota UNPD*
NPO22136 Hedysarum alpinum Species Fabaceae Eukaryota UNPD*
NPO3568 Myristica dactyloides Species Myristicaceae Eukaryota UNPD*
NPO15944 Primnoa resedaeformis Species Primnoidae Eukaryota UNPD*
NPO14426 Halictus sexcinctus Species Halictidae Eukaryota UNPD*
NPO6000 Helichrysum panduratum Species Asteraceae Eukaryota UNPD*
NPO12155 Wrightia mollissima Species Apocynaceae Eukaryota UNPD*
NPO7413 Wedelia biflora Species Asteraceae Eukaryota UNPD*
NPO9931 Cryptocarya caloneura Species Lauraceae Eukaryota UNPD*
NPO5200 Diphylleia grayi Species Berberidaceae Eukaryota UNPD*
NPO27844 Coreopsis verticillata Species Asteraceae Eukaryota UNPD*
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota UNPD*
NPO17753 Carex kobomugi Species Cyperaceae Eukaryota UNPD*
NPO14532 Salmea scandens Species Asteraceae Eukaryota UNPD*
NPO11738 Talaromyces emodensis Species Trichocomaceae Eukaryota UNPD*
NPO6003 Halorosellinia oceanica Species Xylariaceae Eukaryota UNPD*
NPO9501 Melaleuca leucadendron Species Myrtaceae Eukaryota UNPD*
NPO17369 Onobrychis bobrovi Species Fabaceae Eukaryota UNPD*
NPO15889 Campanula biebersteiniana Species Campanulaceae Eukaryota UNPD*
NPO12019 Orontium japonicum Species Araceae Eukaryota UNPD*
NPO17954 Narcissus tazetta Species Amaryllidaceae Eukaryota UNPD*
NPO29294 Rotheca myricoides Species Lamiaceae Eukaryota UNPD*
NPO13061 Balanocarpus zeylanicus NA NA NA UNPD*
NPO10670 Bidens frondosa Species Asteraceae Eukaryota UNPD*
NPO1349 Zanthoxylum zanthoxyloides Species Rutaceae Eukaryota UNPD*
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota UNPD*
NPO12610 Diospyros dendo Species Ebenaceae Eukaryota UNPD*
NPO12836 Mentha javanica Species Lamiaceae Eukaryota UNPD*
NPO1804 Grevillea pyramidalis Species Proteaceae Eukaryota UNPD*
NPO15212 Fraxinus chinensis Species Oleaceae Eukaryota UNPD*
NPO12781 Schefflera heptaphylla Species Araliaceae Eukaryota UNPD*
NPO15495 Narcissus cantabricus Species Amaryllidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 45700 nM 26112446
NPT2 Others Unspecified Ratio CC50/IC50 = 5 26112446
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 228300 nM 26112446

  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 NPC271974 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
1.0 High Similarity NPC247312
0.9405 High Similarity NPC2783
0.9294 High Similarity NPC33768
0.9294 High Similarity NPC269360
0.9294 High Similarity NPC264005
0.9286 High Similarity NPC264317
0.9286 High Similarity NPC294438
0.9186 High Similarity NPC474719
0.9186 High Similarity NPC4309
0.9186 High Similarity NPC16377
0.9176 High Similarity NPC12774
0.908 High Similarity NPC220498
0.908 High Similarity NPC57954
0.908 High Similarity NPC213832
0.8977 High Similarity NPC169933
0.8966 High Similarity NPC471900
0.8876 High Similarity NPC160506
0.8876 High Similarity NPC471901
0.8837 High Similarity NPC98270
0.8824 High Similarity NPC472743
0.8824 High Similarity NPC471037
0.8824 High Similarity NPC475726
0.8778 High Similarity NPC471902
0.8778 High Similarity NPC287118
0.8778 High Similarity NPC291373
0.8778 High Similarity NPC224060
0.8778 High Similarity NPC473690
0.8778 High Similarity NPC244356
0.8721 High Similarity NPC475745
0.8721 High Similarity NPC474482
0.8721 High Similarity NPC475509
0.8721 High Similarity NPC74595
0.8721 High Similarity NPC264665
0.8681 High Similarity NPC277399
0.8675 High Similarity NPC329117
0.8667 High Similarity NPC475416
0.8621 High Similarity NPC201655
0.8621 High Similarity NPC292553
0.8571 High Similarity NPC192744
0.8571 High Similarity NPC475061
0.8554 High Similarity NPC68828
0.8539 High Similarity NPC146937
0.8523 High Similarity NPC98236
0.8523 High Similarity NPC269396
0.8523 High Similarity NPC472738
0.8523 High Similarity NPC187545
0.8506 High Similarity NPC474233
0.8478 Intermediate Similarity NPC303863
0.8444 Intermediate Similarity NPC474704
0.8444 Intermediate Similarity NPC475921
0.8434 Intermediate Similarity NPC246445
0.8427 Intermediate Similarity NPC474684
0.8427 Intermediate Similarity NPC57469
0.8427 Intermediate Similarity NPC142361
0.8427 Intermediate Similarity NPC4643
0.8391 Intermediate Similarity NPC245866
0.8391 Intermediate Similarity NPC5280
0.8353 Intermediate Similarity NPC201459
0.8352 Intermediate Similarity NPC471896
0.8333 Intermediate Similarity NPC298168
0.8333 Intermediate Similarity NPC66105
0.8333 Intermediate Similarity NPC52169
0.8333 Intermediate Similarity NPC242864
0.8333 Intermediate Similarity NPC472739
0.8333 Intermediate Similarity NPC182797
0.8333 Intermediate Similarity NPC143133
0.8315 Intermediate Similarity NPC28252
0.8315 Intermediate Similarity NPC168231
0.8315 Intermediate Similarity NPC70661
0.8315 Intermediate Similarity NPC80590
0.8315 Intermediate Similarity NPC55309
0.8298 Intermediate Similarity NPC9487
0.8261 Intermediate Similarity NPC189520
0.8256 Intermediate Similarity NPC261616
0.8256 Intermediate Similarity NPC206735
0.8256 Intermediate Similarity NPC304194
0.8242 Intermediate Similarity NPC64872
0.8242 Intermediate Similarity NPC290972
0.8242 Intermediate Similarity NPC274330
0.8242 Intermediate Similarity NPC25906
0.8242 Intermediate Similarity NPC143232
0.8242 Intermediate Similarity NPC293048
0.8242 Intermediate Similarity NPC59263
0.8242 Intermediate Similarity NPC130520
0.8242 Intermediate Similarity NPC270768
0.8242 Intermediate Similarity NPC61543
0.8242 Intermediate Similarity NPC225585
0.8242 Intermediate Similarity NPC474889
0.8242 Intermediate Similarity NPC198664
0.8242 Intermediate Similarity NPC234346
0.8242 Intermediate Similarity NPC127689
0.8242 Intermediate Similarity NPC121798
0.8242 Intermediate Similarity NPC263393
0.8235 Intermediate Similarity NPC63020
0.8222 Intermediate Similarity NPC293564
0.8222 Intermediate Similarity NPC18064
0.8222 Intermediate Similarity NPC134197
0.8222 Intermediate Similarity NPC98442
0.8222 Intermediate Similarity NPC159046
0.8222 Intermediate Similarity NPC88716
0.8222 Intermediate Similarity NPC233836
0.8222 Intermediate Similarity NPC51700
0.8222 Intermediate Similarity NPC307426
0.8222 Intermediate Similarity NPC187376
0.8222 Intermediate Similarity NPC142415
0.8222 Intermediate Similarity NPC171203
0.8222 Intermediate Similarity NPC102683
0.8222 Intermediate Similarity NPC242468
0.8222 Intermediate Similarity NPC130577
0.8222 Intermediate Similarity NPC68160
0.8214 Intermediate Similarity NPC4209
0.8202 Intermediate Similarity NPC76518
0.8191 Intermediate Similarity NPC288906
0.8191 Intermediate Similarity NPC279974
0.8191 Intermediate Similarity NPC205173
0.8191 Intermediate Similarity NPC266431
0.8191 Intermediate Similarity NPC263135
0.8182 Intermediate Similarity NPC472740
0.8172 Intermediate Similarity NPC470376
0.8172 Intermediate Similarity NPC294263
0.8172 Intermediate Similarity NPC475255
0.8172 Intermediate Similarity NPC470375
0.8161 Intermediate Similarity NPC474484
0.8161 Intermediate Similarity NPC103754
0.8152 Intermediate Similarity NPC111110
0.8152 Intermediate Similarity NPC120968
0.8152 Intermediate Similarity NPC126369
0.8152 Intermediate Similarity NPC18872
0.8152 Intermediate Similarity NPC469400
0.8152 Intermediate Similarity NPC113989
0.8152 Intermediate Similarity NPC148414
0.8152 Intermediate Similarity NPC175628
0.8152 Intermediate Similarity NPC290614
0.8152 Intermediate Similarity NPC291028
0.8152 Intermediate Similarity NPC470589
0.8152 Intermediate Similarity NPC227467
0.8152 Intermediate Similarity NPC273621
0.8152 Intermediate Similarity NPC210037
0.8152 Intermediate Similarity NPC474728
0.8152 Intermediate Similarity NPC111585
0.8152 Intermediate Similarity NPC130278
0.8152 Intermediate Similarity NPC477872
0.8152 Intermediate Similarity NPC7260
0.8152 Intermediate Similarity NPC120840
0.814 Intermediate Similarity NPC305835
0.8132 Intermediate Similarity NPC474512
0.8132 Intermediate Similarity NPC246708
0.8132 Intermediate Similarity NPC470629
0.8132 Intermediate Similarity NPC290690
0.8132 Intermediate Similarity NPC183374
0.8132 Intermediate Similarity NPC17733
0.8132 Intermediate Similarity NPC181225
0.8132 Intermediate Similarity NPC473242
0.8132 Intermediate Similarity NPC211162
0.8132 Intermediate Similarity NPC40552
0.8118 Intermediate Similarity NPC207010
0.8118 Intermediate Similarity NPC474433
0.8118 Intermediate Similarity NPC317913
0.8111 Intermediate Similarity NPC155011
0.8111 Intermediate Similarity NPC472505
0.8111 Intermediate Similarity NPC72638
0.8105 Intermediate Similarity NPC234564
0.8105 Intermediate Similarity NPC327788
0.8095 Intermediate Similarity NPC104387
0.8095 Intermediate Similarity NPC212879
0.8095 Intermediate Similarity NPC231256
0.8095 Intermediate Similarity NPC212733
0.8095 Intermediate Similarity NPC240235
0.8095 Intermediate Similarity NPC178383
0.809 Intermediate Similarity NPC263974
0.8085 Intermediate Similarity NPC47853
0.8072 Intermediate Similarity NPC36310
0.8072 Intermediate Similarity NPC244708
0.8072 Intermediate Similarity NPC161187
0.8072 Intermediate Similarity NPC330659
0.8068 Intermediate Similarity NPC30583
0.8068 Intermediate Similarity NPC289486
0.8068 Intermediate Similarity NPC170985
0.8068 Intermediate Similarity NPC61107
0.8065 Intermediate Similarity NPC71074
0.8065 Intermediate Similarity NPC235884
0.8065 Intermediate Similarity NPC105189
0.8065 Intermediate Similarity NPC52021
0.8065 Intermediate Similarity NPC324341
0.8065 Intermediate Similarity NPC155120
0.8065 Intermediate Similarity NPC26888
0.8065 Intermediate Similarity NPC472149
0.8065 Intermediate Similarity NPC23434
0.8065 Intermediate Similarity NPC212301
0.8065 Intermediate Similarity NPC187722
0.8065 Intermediate Similarity NPC474525
0.8065 Intermediate Similarity NPC966
0.8065 Intermediate Similarity NPC288833
0.8065 Intermediate Similarity NPC470590
0.8065 Intermediate Similarity NPC211403
0.8065 Intermediate Similarity NPC282616
0.8065 Intermediate Similarity NPC233455
0.8065 Intermediate Similarity NPC86266
0.8065 Intermediate Similarity NPC285184
0.8065 Intermediate Similarity NPC198242

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271974 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
0.9286 High Similarity NPD7520 Clinical (unspecified phase)
0.8876 High Similarity NPD8035 Phase 2
0.8876 High Similarity NPD8034 Phase 2
0.8214 Intermediate Similarity NPD6117 Approved
0.8118 Intermediate Similarity NPD6116 Phase 1
0.8065 Intermediate Similarity NPD7515 Phase 2
0.8023 Intermediate Similarity NPD6118 Approved
0.8023 Intermediate Similarity NPD6115 Approved
0.8023 Intermediate Similarity NPD6697 Approved
0.8023 Intermediate Similarity NPD6114 Approved
0.7976 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7748 Approved
0.7889 Intermediate Similarity NPD3668 Phase 3
0.7789 Intermediate Similarity NPD6399 Phase 3
0.7692 Intermediate Similarity NPD4786 Approved
0.766 Intermediate Similarity NPD5328 Approved
0.7653 Intermediate Similarity NPD7902 Approved
0.7582 Intermediate Similarity NPD4788 Approved
0.7529 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD3618 Phase 1
0.75 Intermediate Similarity NPD6079 Approved
0.7473 Intermediate Similarity NPD3667 Approved
0.7444 Intermediate Similarity NPD7525 Registered
0.74 Intermediate Similarity NPD7638 Approved
0.7368 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD7900 Approved
0.7347 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD7639 Approved
0.7327 Intermediate Similarity NPD7640 Approved
0.7326 Intermediate Similarity NPD6081 Approved
0.7308 Intermediate Similarity NPD7128 Approved
0.7308 Intermediate Similarity NPD5739 Approved
0.7308 Intermediate Similarity NPD6675 Approved
0.7308 Intermediate Similarity NPD6402 Approved
0.7294 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD4202 Approved
0.7222 Intermediate Similarity NPD5364 Discontinued
0.72 Intermediate Similarity NPD4697 Phase 3
0.72 Intermediate Similarity NPD5222 Approved
0.72 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5221 Approved
0.7188 Intermediate Similarity NPD5737 Approved
0.7188 Intermediate Similarity NPD6672 Approved
0.7176 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5360 Phase 3
0.717 Intermediate Similarity NPD7320 Approved
0.717 Intermediate Similarity NPD6881 Approved
0.717 Intermediate Similarity NPD6899 Approved
0.7158 Intermediate Similarity NPD7146 Approved
0.7158 Intermediate Similarity NPD7521 Approved
0.7158 Intermediate Similarity NPD7334 Approved
0.7158 Intermediate Similarity NPD6409 Approved
0.7158 Intermediate Similarity NPD6684 Approved
0.7158 Intermediate Similarity NPD5330 Approved
0.7143 Intermediate Similarity NPD4224 Phase 2
0.713 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD5173 Approved
0.7129 Intermediate Similarity NPD6084 Phase 2
0.7129 Intermediate Similarity NPD6083 Phase 2
0.7129 Intermediate Similarity NPD4755 Approved
0.7128 Intermediate Similarity NPD3666 Approved
0.7128 Intermediate Similarity NPD3133 Approved
0.7128 Intermediate Similarity NPD3665 Phase 1
0.7103 Intermediate Similarity NPD6372 Approved
0.7103 Intermediate Similarity NPD6373 Approved
0.7079 Intermediate Similarity NPD3703 Phase 2
0.7075 Intermediate Similarity NPD5697 Approved
0.7075 Intermediate Similarity NPD5701 Approved
0.7037 Intermediate Similarity NPD6883 Approved
0.7037 Intermediate Similarity NPD7290 Approved
0.7037 Intermediate Similarity NPD7102 Approved
0.7011 Intermediate Similarity NPD4245 Approved
0.7011 Intermediate Similarity NPD4789 Approved
0.7011 Intermediate Similarity NPD4244 Approved
0.701 Intermediate Similarity NPD6903 Approved
0.7009 Intermediate Similarity NPD6011 Approved
0.699 Remote Similarity NPD4700 Approved
0.699 Remote Similarity NPD5286 Approved
0.699 Remote Similarity NPD5285 Approved
0.699 Remote Similarity NPD4696 Approved
0.6972 Remote Similarity NPD8130 Phase 1
0.6972 Remote Similarity NPD6869 Approved
0.6972 Remote Similarity NPD6617 Approved
0.6972 Remote Similarity NPD6649 Approved
0.6972 Remote Similarity NPD6847 Approved
0.6972 Remote Similarity NPD6650 Approved
0.6957 Remote Similarity NPD7645 Phase 2
0.6952 Remote Similarity NPD4754 Approved
0.6944 Remote Similarity NPD6012 Approved
0.6944 Remote Similarity NPD6013 Approved
0.6944 Remote Similarity NPD6014 Approved
0.6939 Remote Similarity NPD4753 Phase 2
0.6932 Remote Similarity NPD5777 Approved
0.6931 Remote Similarity NPD5695 Phase 3
0.6931 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5223 Approved
0.6915 Remote Similarity NPD4223 Phase 3
0.6915 Remote Similarity NPD4221 Approved
0.6909 Remote Similarity NPD8297 Approved
0.6909 Remote Similarity NPD6882 Approved
0.6897 Remote Similarity NPD3698 Phase 2
0.6893 Remote Similarity NPD5696 Approved
0.6889 Remote Similarity NPD3702 Approved
0.6889 Remote Similarity NPD7339 Approved
0.6889 Remote Similarity NPD6942 Approved
0.6875 Remote Similarity NPD5329 Approved
0.6857 Remote Similarity NPD4633 Approved
0.6857 Remote Similarity NPD7632 Discontinued
0.6857 Remote Similarity NPD5211 Phase 2
0.6857 Remote Similarity NPD5225 Approved
0.6857 Remote Similarity NPD5224 Approved
0.6857 Remote Similarity NPD5226 Approved
0.6847 Remote Similarity NPD8133 Approved
0.6824 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6814 Remote Similarity NPD7115 Discovery
0.6804 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5279 Phase 3
0.6804 Remote Similarity NPD6098 Approved
0.68 Remote Similarity NPD5281 Approved
0.68 Remote Similarity NPD5284 Approved
0.6792 Remote Similarity NPD5174 Approved
0.6792 Remote Similarity NPD5175 Approved
0.6771 Remote Similarity NPD4197 Approved
0.6768 Remote Similarity NPD6673 Approved
0.6768 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6768 Remote Similarity NPD6080 Approved
0.6768 Remote Similarity NPD6904 Approved
0.6742 Remote Similarity NPD4758 Discontinued
0.6729 Remote Similarity NPD5141 Approved
0.6726 Remote Similarity NPD6868 Approved
0.6705 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD3617 Approved
0.6667 Remote Similarity NPD3671 Phase 1
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6633 Remote Similarity NPD4689 Approved
0.6633 Remote Similarity NPD4138 Approved
0.6633 Remote Similarity NPD4688 Approved
0.6633 Remote Similarity NPD4690 Approved
0.6633 Remote Similarity NPD4693 Phase 3
0.6633 Remote Similarity NPD5205 Approved
0.663 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6335 Approved
0.6602 Remote Similarity NPD5210 Approved
0.6602 Remote Similarity NPD4629 Approved
0.6579 Remote Similarity NPD6274 Approved
0.6577 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5135 Approved
0.6566 Remote Similarity NPD3573 Approved
0.6552 Remote Similarity NPD7101 Approved
0.6552 Remote Similarity NPD7100 Approved
0.6545 Remote Similarity NPD5168 Approved
0.6545 Remote Similarity NPD4729 Approved
0.6545 Remote Similarity NPD5128 Approved
0.6545 Remote Similarity NPD4730 Approved
0.6522 Remote Similarity NPD6009 Approved
0.6509 Remote Similarity NPD8418 Phase 2
0.6505 Remote Similarity NPD6001 Approved
0.65 Remote Similarity NPD7507 Approved
0.65 Remote Similarity NPD5208 Approved
0.6471 Remote Similarity NPD5693 Phase 1
0.6471 Remote Similarity NPD6050 Approved
0.6471 Remote Similarity NPD6411 Approved
0.6466 Remote Similarity NPD6313 Approved
0.6466 Remote Similarity NPD6314 Approved
0.6465 Remote Similarity NPD5280 Approved
0.6465 Remote Similarity NPD4694 Approved
0.6465 Remote Similarity NPD5690 Phase 2
0.6458 Remote Similarity NPD4692 Approved
0.6458 Remote Similarity NPD4139 Approved
0.6455 Remote Similarity NPD6412 Phase 2
0.6441 Remote Similarity NPD6909 Approved
0.6441 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6441 Remote Similarity NPD6908 Approved
0.6436 Remote Similarity NPD6051 Approved
0.6429 Remote Similarity NPD5250 Approved
0.6429 Remote Similarity NPD5249 Phase 3
0.6429 Remote Similarity NPD4634 Approved
0.6429 Remote Similarity NPD5247 Approved
0.6429 Remote Similarity NPD5169 Approved
0.6429 Remote Similarity NPD5251 Approved
0.6429 Remote Similarity NPD5248 Approved
0.6413 Remote Similarity NPD6926 Approved
0.6413 Remote Similarity NPD6924 Approved
0.6393 Remote Similarity NPD7736 Approved
0.6392 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6381 Remote Similarity NPD7614 Phase 1
0.6374 Remote Similarity NPD4243 Approved
0.6373 Remote Similarity NPD5692 Phase 3
0.6372 Remote Similarity NPD5217 Approved
0.6372 Remote Similarity NPD5215 Approved
0.6372 Remote Similarity NPD5127 Approved
0.6372 Remote Similarity NPD5216 Approved
0.6356 Remote Similarity NPD6319 Approved

Structure

External Identifiers

PubChem CID   21582889
ChEMBL   CHEMBL3601067
ZINC  

Physicochemical Properties

Molecular Weight:  536.32
ALogP:  2.3007
MLogP:  3.99
XLogP:  8.11
# Rotatable Bonds:  12
Polar Surface Area:  109.28
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  37

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Biological Activities  
Similar NPs/Drugs