Natural Product: NPC98069

Natural Product ID:  NPC98069
Common Name:   Sculponeatin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H24O6
Standard InCHIKey:  VITOUEAQSWAQLD-ZIFJAMSESA-N
Standard InCHI:  InChI=1S/C20H24O6/c1-9-10-5-11(21)13-19(6-10,15(9)22)17(23)26-12-3-4-18(2)7-24-16-14(18)20(12,13)8-25-16/h10-14,16,21H,1,3-8H2,2H3/t10-,11-,12+,13-,14-,16+,18+,19+,20+/m1/s1
Canonical SMILES:  C=C1[C@@H]2C[C@H]([C@@H]3[C@](C1=O)(C2)C(=O)O[C@@H]1[C@]23CO[C@H]3[C@@H]2[C@](CC1)(C)CO3)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
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota aerial parts Muli County, Sichuan Province, China 2011-AUG PMID[24219809]
NPO21614 Urceolaria scruposa Species Trichodinidae Eukaryota UNPD*
NPO19889 Cereus stellatus Species Sagartiidae Eukaryota UNPD*
NPO4838 Phlomis umbrosa Species Lamiaceae Eukaryota TCMID*
NPO19485 Isodon sculponeata Species Lamiaceae Eukaryota TCMID*
NPO19768 Xylosalsola arbuscula Species Chenopodiaceae Eukaryota UNPD*
NPO8991 Carcinus maenas Species Carcinidae Eukaryota UNPD*
NPO19763 Meloidogyne incognita Species Meloidogynidae Eukaryota UNPD*
NPO20115 Melampodium argophyllum Species Asteraceae Eukaryota UNPD*
NPO17508 Danae racemosa Species Asparagaceae Eukaryota UNPD*
NPO20336 Arctotheca calendula Species Asteraceae Eukaryota UNPD*
NPO20543 Psydrax livida Species Rubiaceae Eukaryota UNPD*
NPO17240 Crematogaster brevis Species Formicidae Eukaryota UNPD*
NPO20470 Elaeagnus orientalis Species Elaeagnaceae Eukaryota UNPD*
NPO1558 Ozothamnus obcordatus Species Asteraceae Eukaryota UNPD*
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota UNPD*
NPO16409 Quercus pedunculata Species Fagaceae Eukaryota UNPD*
NPO21139 Daphniphyllum calycinum Species Daphniphyllaceae Eukaryota UNPD*
NPO21482 Crotalaria laburnifolia Species Fabaceae Eukaryota UNPD*
NPO16021 Boletus bovinus Species Boletaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 1620 nM 19697926
NPT81 Cell Line A549 Homo sapiens IC50 = 1900 nM 19697926
NPT65 Cell Line HepG2 Homo sapiens IC50 = 1770 nM 19697926
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 9100 nM 24219809
NPT660 Cell Line SW480 Homo sapiens IC50 = 3500 nM 24219809
NPT83 Cell Line MCF7 Homo sapiens IC50 = 15000 nM 24219809
NPT81 Cell Line A549 Homo sapiens IC50 = 17100 nM 24219809
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 15200 nM 24219809
NPT116 Cell Line HL-60 Homo sapiens IC50 = 12700 nM 24219809

  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 NPC98069 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 NPC49730
0.9703 High Similarity NPC96333
0.9703 High Similarity NPC88833
0.9604 High Similarity NPC103172
0.9604 High Similarity NPC164600
0.951 High Similarity NPC61071
0.9505 High Similarity NPC244247
0.9505 High Similarity NPC101842
0.9238 High Similarity NPC98633
0.9231 High Similarity NPC232133
0.9143 High Similarity NPC469983
0.9109 High Similarity NPC267921
0.9029 High Similarity NPC139347
0.8981 High Similarity NPC285086
0.8972 High Similarity NPC329953
0.8868 High Similarity NPC469733
0.8868 High Similarity NPC469729
0.8857 High Similarity NPC12823
0.8857 High Similarity NPC285927
0.8846 High Similarity NPC96217
0.8835 High Similarity NPC236585
0.8835 High Similarity NPC148279
0.8835 High Similarity NPC14634
0.8824 High Similarity NPC474793
0.8796 High Similarity NPC471251
0.8785 High Similarity NPC469744
0.8785 High Similarity NPC471250
0.8774 High Similarity NPC469746
0.8762 High Similarity NPC13149
0.8762 High Similarity NPC202793
0.8704 High Similarity NPC255655
0.8704 High Similarity NPC130302
0.8704 High Similarity NPC124053
0.8692 High Similarity NPC469984
0.8692 High Similarity NPC63841
0.8692 High Similarity NPC473410
0.8692 High Similarity NPC471094
0.8654 High Similarity NPC46848
0.8649 High Similarity NPC88945
0.8649 High Similarity NPC229752
0.8641 High Similarity NPC471038
0.8641 High Similarity NPC26270
0.8636 High Similarity NPC132668
0.8627 High Similarity NPC193785
0.8624 High Similarity NPC63244
0.8624 High Similarity NPC122339
0.8614 High Similarity NPC41649
0.8598 High Similarity NPC471474
0.8598 High Similarity NPC186054
0.8571 High Similarity NPC78836
0.8571 High Similarity NPC475803
0.8571 High Similarity NPC275990
0.8571 High Similarity NPC309388
0.8571 High Similarity NPC473304
0.8545 High Similarity NPC473303
0.8545 High Similarity NPC471244
0.8545 High Similarity NPC471245
0.8532 High Similarity NPC471476
0.8532 High Similarity NPC471093
0.8532 High Similarity NPC473324
0.8532 High Similarity NPC320383
0.8532 High Similarity NPC85391
0.8532 High Similarity NPC137104
0.8532 High Similarity NPC474786
0.8529 High Similarity NPC470232
0.8505 High Similarity NPC4115
0.8505 High Similarity NPC130511
0.8505 High Similarity NPC56656
0.8505 High Similarity NPC307660
0.8491 Intermediate Similarity NPC87927
0.8476 Intermediate Similarity NPC39683
0.8476 Intermediate Similarity NPC471790
0.8476 Intermediate Similarity NPC289148
0.8476 Intermediate Similarity NPC163963
0.8476 Intermediate Similarity NPC52899
0.8468 Intermediate Similarity NPC94141
0.8462 Intermediate Similarity NPC28864
0.8462 Intermediate Similarity NPC89099
0.8462 Intermediate Similarity NPC20479
0.8462 Intermediate Similarity NPC162459
0.8462 Intermediate Similarity NPC38296
0.8462 Intermediate Similarity NPC38471
0.8462 Intermediate Similarity NPC98837
0.8455 Intermediate Similarity NPC213320
0.8455 Intermediate Similarity NPC29505
0.8447 Intermediate Similarity NPC200054
0.8447 Intermediate Similarity NPC329910
0.8447 Intermediate Similarity NPC29410
0.844 Intermediate Similarity NPC131903
0.844 Intermediate Similarity NPC102741
0.844 Intermediate Similarity NPC274827
0.8431 Intermediate Similarity NPC470385
0.8431 Intermediate Similarity NPC470386
0.8431 Intermediate Similarity NPC475118
0.8411 Intermediate Similarity NPC474558
0.8396 Intermediate Similarity NPC88203
0.8396 Intermediate Similarity NPC214946
0.8396 Intermediate Similarity NPC148628
0.8396 Intermediate Similarity NPC246736
0.8396 Intermediate Similarity NPC304832
0.8396 Intermediate Similarity NPC76866
0.8396 Intermediate Similarity NPC286519
0.8393 Intermediate Similarity NPC17165
0.8381 Intermediate Similarity NPC470388
0.8381 Intermediate Similarity NPC293866
0.8381 Intermediate Similarity NPC287676
0.8378 Intermediate Similarity NPC473397
0.8378 Intermediate Similarity NPC474927
0.8378 Intermediate Similarity NPC473352
0.8378 Intermediate Similarity NPC145625
0.8378 Intermediate Similarity NPC157929
0.8365 Intermediate Similarity NPC10864
0.8365 Intermediate Similarity NPC96839
0.835 Intermediate Similarity NPC98639
0.835 Intermediate Similarity NPC470229
0.8349 Intermediate Similarity NPC89860
0.8349 Intermediate Similarity NPC55973
0.8349 Intermediate Similarity NPC189663
0.8333 Intermediate Similarity NPC200957
0.8333 Intermediate Similarity NPC138908
0.8318 Intermediate Similarity NPC209298
0.8318 Intermediate Similarity NPC122811
0.8318 Intermediate Similarity NPC277074
0.8318 Intermediate Similarity NPC216114
0.8304 Intermediate Similarity NPC471252
0.8304 Intermediate Similarity NPC73986
0.8288 Intermediate Similarity NPC272242
0.8286 Intermediate Similarity NPC16911
0.8286 Intermediate Similarity NPC78427
0.8273 Intermediate Similarity NPC252679
0.8273 Intermediate Similarity NPC118721
0.8269 Intermediate Similarity NPC470387
0.8269 Intermediate Similarity NPC13949
0.8257 Intermediate Similarity NPC166993
0.8257 Intermediate Similarity NPC176949
0.8257 Intermediate Similarity NPC201908
0.8257 Intermediate Similarity NPC67745
0.8257 Intermediate Similarity NPC471461
0.8252 Intermediate Similarity NPC47853
0.8241 Intermediate Similarity NPC84928
0.8241 Intermediate Similarity NPC98603
0.8235 Intermediate Similarity NPC211403
0.8235 Intermediate Similarity NPC198242
0.8235 Intermediate Similarity NPC250753
0.823 Intermediate Similarity NPC243354
0.8198 Intermediate Similarity NPC42776
0.819 Intermediate Similarity NPC253586
0.8182 Intermediate Similarity NPC273155
0.8182 Intermediate Similarity NPC231278
0.8182 Intermediate Similarity NPC469845
0.8182 Intermediate Similarity NPC112895
0.8182 Intermediate Similarity NPC218123
0.8155 Intermediate Similarity NPC294263
0.8151 Intermediate Similarity NPC174367
0.8151 Intermediate Similarity NPC47113
0.8148 Intermediate Similarity NPC159442
0.8142 Intermediate Similarity NPC194273
0.8142 Intermediate Similarity NPC471248
0.8142 Intermediate Similarity NPC102619
0.8131 Intermediate Similarity NPC252614
0.8125 Intermediate Similarity NPC471243
0.8125 Intermediate Similarity NPC270586
0.8119 Intermediate Similarity NPC56413
0.8108 Intermediate Similarity NPC8431
0.8073 Intermediate Similarity NPC96268
0.8073 Intermediate Similarity NPC88469
0.8073 Intermediate Similarity NPC301787
0.8058 Intermediate Similarity NPC470230
0.8058 Intermediate Similarity NPC475878
0.8056 Intermediate Similarity NPC124544
0.8039 Intermediate Similarity NPC200580
0.8037 Intermediate Similarity NPC108371
0.8018 Intermediate Similarity NPC224414
0.8 Intermediate Similarity NPC222833
0.8 Intermediate Similarity NPC295366
0.8 Intermediate Similarity NPC210214
0.8 Intermediate Similarity NPC231060
0.8 Intermediate Similarity NPC138245
0.8 Intermediate Similarity NPC37600
0.8 Intermediate Similarity NPC84018
0.7982 Intermediate Similarity NPC52634
0.7982 Intermediate Similarity NPC320118
0.7981 Intermediate Similarity NPC144739
0.7981 Intermediate Similarity NPC181594
0.7965 Intermediate Similarity NPC274833
0.7965 Intermediate Similarity NPC11035
0.7965 Intermediate Similarity NPC56025
0.7965 Intermediate Similarity NPC470311
0.7963 Intermediate Similarity NPC121218
0.7963 Intermediate Similarity NPC253886
0.7961 Intermediate Similarity NPC80401
0.7944 Intermediate Similarity NPC288
0.7944 Intermediate Similarity NPC109059
0.7934 Intermediate Similarity NPC42399
0.7928 Intermediate Similarity NPC471246
0.7913 Intermediate Similarity NPC300051
0.7905 Intermediate Similarity NPC29247
0.7905 Intermediate Similarity NPC129004
0.7905 Intermediate Similarity NPC111524
0.7905 Intermediate Similarity NPC104371

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98069 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
0.7899 Intermediate Similarity NPD6370 Approved
0.7869 Intermediate Similarity NPD7736 Approved
0.7787 Intermediate Similarity NPD7078 Approved
0.7787 Intermediate Similarity NPD8293 Discontinued
0.7769 Intermediate Similarity NPD7492 Approved
0.7731 Intermediate Similarity NPD6054 Approved
0.7705 Intermediate Similarity NPD6616 Approved
0.7667 Intermediate Similarity NPD6015 Approved
0.7667 Intermediate Similarity NPD6016 Approved
0.7603 Intermediate Similarity NPD5988 Approved
0.7583 Intermediate Similarity NPD6059 Approved
0.7541 Intermediate Similarity NPD8328 Phase 3
0.752 Intermediate Similarity NPD7319 Approved
0.7436 Intermediate Similarity NPD6882 Approved
0.7419 Intermediate Similarity NPD7507 Approved
0.7373 Intermediate Similarity NPD8133 Approved
0.7368 Intermediate Similarity NPD6008 Approved
0.7333 Intermediate Similarity NPD6009 Approved
0.7333 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD6412 Phase 2
0.7304 Intermediate Similarity NPD5697 Approved
0.7295 Intermediate Similarity NPD6319 Approved
0.7241 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6686 Approved
0.7241 Intermediate Similarity NPD7320 Approved
0.7241 Intermediate Similarity NPD6881 Approved
0.7241 Intermediate Similarity NPD6899 Approved
0.7222 Intermediate Similarity NPD8034 Phase 2
0.7222 Intermediate Similarity NPD8035 Phase 2
0.7217 Intermediate Similarity NPD6675 Approved
0.7217 Intermediate Similarity NPD7128 Approved
0.7217 Intermediate Similarity NPD5739 Approved
0.7217 Intermediate Similarity NPD6402 Approved
0.7203 Intermediate Similarity NPD6649 Approved
0.7203 Intermediate Similarity NPD6650 Approved
0.7179 Intermediate Similarity NPD6013 Approved
0.7179 Intermediate Similarity NPD6012 Approved
0.7179 Intermediate Similarity NPD6373 Approved
0.7179 Intermediate Similarity NPD6014 Approved
0.7179 Intermediate Similarity NPD6372 Approved
0.7155 Intermediate Similarity NPD5701 Approved
0.713 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7290 Approved
0.7119 Intermediate Similarity NPD7102 Approved
0.7119 Intermediate Similarity NPD6883 Approved
0.7094 Intermediate Similarity NPD6011 Approved
0.7083 Intermediate Similarity NPD4632 Approved
0.7059 Intermediate Similarity NPD6847 Approved
0.7059 Intermediate Similarity NPD8130 Phase 1
0.7059 Intermediate Similarity NPD6869 Approved
0.7059 Intermediate Similarity NPD6617 Approved
0.7031 Intermediate Similarity NPD6033 Approved
0.7 Intermediate Similarity NPD6399 Phase 3
0.7 Intermediate Similarity NPD8297 Approved
0.6981 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6975 Remote Similarity NPD4634 Approved
0.693 Remote Similarity NPD5285 Approved
0.693 Remote Similarity NPD5286 Approved
0.693 Remote Similarity NPD4696 Approved
0.6909 Remote Similarity NPD6079 Approved
0.6903 Remote Similarity NPD4755 Approved
0.6881 Remote Similarity NPD5328 Approved
0.6855 Remote Similarity NPD7327 Approved
0.6855 Remote Similarity NPD7328 Approved
0.685 Remote Similarity NPD6067 Discontinued
0.6842 Remote Similarity NPD7638 Approved
0.6829 Remote Similarity NPD6274 Approved
0.6825 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6825 Remote Similarity NPD5983 Phase 2
0.6814 Remote Similarity NPD4697 Phase 3
0.6814 Remote Similarity NPD5222 Approved
0.6814 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6814 Remote Similarity NPD5221 Approved
0.681 Remote Similarity NPD5224 Approved
0.681 Remote Similarity NPD5225 Approved
0.681 Remote Similarity NPD5226 Approved
0.681 Remote Similarity NPD5211 Phase 2
0.681 Remote Similarity NPD4633 Approved
0.68 Remote Similarity NPD7516 Approved
0.6783 Remote Similarity NPD7640 Approved
0.6783 Remote Similarity NPD4700 Approved
0.6783 Remote Similarity NPD7639 Approved
0.6777 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6774 Remote Similarity NPD7115 Discovery
0.6759 Remote Similarity NPD3618 Phase 1
0.6754 Remote Similarity NPD7902 Approved
0.6754 Remote Similarity NPD5173 Approved
0.6752 Remote Similarity NPD5174 Approved
0.6752 Remote Similarity NPD5175 Approved
0.6746 Remote Similarity NPD8377 Approved
0.6746 Remote Similarity NPD8294 Approved
0.6724 Remote Similarity NPD1700 Approved
0.6724 Remote Similarity NPD5223 Approved
0.6719 Remote Similarity NPD7604 Phase 2
0.6696 Remote Similarity NPD4225 Approved
0.6695 Remote Similarity NPD5141 Approved
0.6693 Remote Similarity NPD8517 Approved
0.6693 Remote Similarity NPD8033 Approved
0.6693 Remote Similarity NPD8378 Approved
0.6693 Remote Similarity NPD8516 Approved
0.6693 Remote Similarity NPD8380 Approved
0.6693 Remote Similarity NPD8515 Approved
0.6693 Remote Similarity NPD8513 Phase 3
0.6693 Remote Similarity NPD8296 Approved
0.6693 Remote Similarity NPD8379 Approved
0.6693 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD7100 Approved
0.6667 Remote Similarity NPD7101 Approved
0.664 Remote Similarity NPD6317 Approved
0.6637 Remote Similarity NPD7748 Approved
0.6635 Remote Similarity NPD6697 Approved
0.6635 Remote Similarity NPD6115 Approved
0.6635 Remote Similarity NPD6118 Approved
0.6635 Remote Similarity NPD6114 Approved
0.6615 Remote Similarity NPD6336 Discontinued
0.6609 Remote Similarity NPD6084 Phase 2
0.6609 Remote Similarity NPD6083 Phase 2
0.6607 Remote Similarity NPD7515 Phase 2
0.6607 Remote Similarity NPD6411 Approved
0.6587 Remote Similarity NPD6314 Approved
0.6587 Remote Similarity NPD6335 Approved
0.6587 Remote Similarity NPD6313 Approved
0.6579 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6921 Approved
0.6562 Remote Similarity NPD7503 Approved
0.656 Remote Similarity NPD6868 Approved
0.6552 Remote Similarity NPD5696 Approved
0.6549 Remote Similarity NPD4202 Approved
0.6545 Remote Similarity NPD3573 Approved
0.6541 Remote Similarity NPD5956 Approved
0.6538 Remote Similarity NPD6116 Phase 1
0.6529 Remote Similarity NPD4729 Approved
0.6529 Remote Similarity NPD4730 Approved
0.6529 Remote Similarity NPD5128 Approved
0.6505 Remote Similarity NPD3703 Phase 2
0.65 Remote Similarity NPD4768 Approved
0.65 Remote Similarity NPD4767 Approved
0.6491 Remote Similarity NPD7900 Approved
0.6491 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6491 Remote Similarity NPD5282 Discontinued
0.6481 Remote Similarity NPD4788 Approved
0.6475 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4754 Approved
0.6455 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6334 Approved
0.6449 Remote Similarity NPD6333 Approved
0.6442 Remote Similarity NPD6117 Approved
0.6435 Remote Similarity NPD5695 Phase 3
0.6434 Remote Similarity NPD6909 Approved
0.6434 Remote Similarity NPD6908 Approved
0.6429 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6101 Approved
0.6423 Remote Similarity NPD5249 Phase 3
0.6423 Remote Similarity NPD5248 Approved
0.6423 Remote Similarity NPD5247 Approved
0.6423 Remote Similarity NPD5251 Approved
0.6423 Remote Similarity NPD5250 Approved
0.6423 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6422 Remote Similarity NPD4786 Approved
0.6417 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6417 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6389 Remote Similarity NPD3667 Approved
0.6387 Remote Similarity NPD7632 Discontinued
0.6371 Remote Similarity NPD5215 Approved
0.6371 Remote Similarity NPD5217 Approved
0.6371 Remote Similarity NPD5216 Approved
0.6355 Remote Similarity NPD6928 Phase 2
0.6348 Remote Similarity NPD6001 Approved
0.6339 Remote Similarity NPD6903 Approved
0.6339 Remote Similarity NPD5737 Approved
0.6339 Remote Similarity NPD6672 Approved
0.632 Remote Similarity NPD6053 Discontinued
0.6306 Remote Similarity NPD7521 Approved
0.6306 Remote Similarity NPD7334 Approved
0.6306 Remote Similarity NPD7146 Approved
0.6306 Remote Similarity NPD5330 Approved
0.6306 Remote Similarity NPD6409 Approved
0.6306 Remote Similarity NPD6684 Approved
0.6296 Remote Similarity NPD1779 Approved
0.6296 Remote Similarity NPD1780 Approved
0.6293 Remote Similarity NPD5210 Approved
0.6293 Remote Similarity NPD4629 Approved
0.629 Remote Similarity NPD5169 Approved
0.629 Remote Similarity NPD5135 Approved
0.629 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6283 Remote Similarity NPD4753 Phase 2
0.6273 Remote Similarity NPD3665 Phase 1
0.6273 Remote Similarity NPD3133 Approved
0.6273 Remote Similarity NPD3666 Approved
0.6269 Remote Similarity NPD8336 Approved
0.6269 Remote Similarity NPD8337 Approved
0.6261 Remote Similarity NPD5778 Approved
0.6261 Remote Similarity NPD5779 Approved
0.6261 Remote Similarity NPD8171 Discontinued
0.626 Remote Similarity NPD5168 Approved
0.625 Remote Similarity NPD6113 Clinical (unspecified phase)
0.624 Remote Similarity NPD5127 Approved
0.6212 Remote Similarity NPD7122 Discontinued

Structure

External Identifiers

PubChem CID   15922655
ChEMBL   CHEMBL1079531
ZINC  

Physicochemical Properties

Molecular Weight:  360.16
ALogP:  -1.1444
MLogP:  3
XLogP:  0.581
# Rotatable Bonds:  2
Polar Surface Area:  82.06
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  26

Download Data

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Biological Activities  
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