Natural Product: NPC110496

Natural Product ID:  NPC110496
Common Name:   12-Epi-O-Deacetyl-19-Deoxyscalarin
IUPAC Name:   (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-3-one
Synonyms:  
Molecular Formula:   C25H38O3
Standard InCHIKey:  XJAQPGLKAWWKLX-JBPGZYRBSA-N
Standard InCHI:  InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17-,18-,19+,20+,23-,24-,25+/m0/s1
Canonical SMILES:  O=C1OC[C@H]2C1=CC[C@@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C
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
NPO33376 Spongia sp. Species Spongiidae Eukaryota PMID[17988093]
NPO33333 hyrtios erecta Species Thorectidae Eukaryota Red Sea PMID[16378375]
NPO33331 brachiaster sp. Species NA NA Thailand PMID[15497961]
NPO33376 Spongia sp. Species Spongiidae Eukaryota PMID[12662110]
NPO670 Hyrtios gumminae Species Thorectidae Eukaryota Thailand PMID[19788270]
NPO5186 Pimpinella aurea Species Apiaceae Eukaryota UNPD*
NPO4034 Albizia adinocephala Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens IC50 = 31600 nM 17988093
NPT137 Cell Line L1210 Mus musculus IC50 = 1.6 ug/ml 12662110
NPT165 Cell Line HeLa Homo sapiens IC50 = 16.5 ug/ml 12662110
NPT81 Cell Line A549 Homo sapiens IC50 = 16.5 ug/ml 12662110
NPT91 Cell Line KB Homo sapiens IC50 = 17.1 ug/ml 12662110
NPT1317 Cell Line CCRF S-180 Mus musculus Activity = 50.3 % 12662110
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 16 % 16378375
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 16000 nM 15497961
NPT83 Cell Line MCF7 Homo sapiens IC50 = 320 nM 15497961
NPT139 Cell Line HT-29 Homo sapiens IC50 = 910 nM 15497961
NPT165 Cell Line HeLa Homo sapiens IC50 = 1990 nM 15497961
NPT91 Cell Line KB Homo sapiens IC50 = 750 nM 15497961
NPT2 Others Unspecified IC50 = 42000 nM 19788270
NPT91 Cell Line KB Homo sapiens IC50 = 7000 nM 19788270
NPT165 Cell Line HeLa Homo sapiens IC50 = 23000 nM 19788270
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 5900 nM 19788270
NPT396 Cell Line T47D Homo sapiens IC50 = 5200 nM 19788270
NPT1396 Cell Line NCI-H69 Homo sapiens IC50 = 57000 nM 19788270

  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 NPC110496 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
0.9899 High Similarity NPC189075
0.9899 High Similarity NPC275539
0.9515 High Similarity NPC194951
0.9515 High Similarity NPC12046
0.9495 High Similarity NPC254202
0.9423 High Similarity NPC157441
0.9118 High Similarity NPC469607
0.9057 High Similarity NPC25909
0.9038 High Similarity NPC112457
0.901 High Similarity NPC165250
0.8962 High Similarity NPC277769
0.8911 High Similarity NPC471412
0.8889 High Similarity NPC472362
0.8889 High Similarity NPC154526
0.8889 High Similarity NPC472363
0.8878 High Similarity NPC250075
0.8824 High Similarity NPC469606
0.8824 High Similarity NPC273005
0.8824 High Similarity NPC31058
0.8824 High Similarity NPC162973
0.8812 High Similarity NPC471413
0.8812 High Similarity NPC47024
0.8807 High Similarity NPC473968
0.88 High Similarity NPC175351
0.88 High Similarity NPC132753
0.88 High Similarity NPC151681
0.88 High Similarity NPC121402
0.88 High Similarity NPC224356
0.8785 High Similarity NPC269530
0.8785 High Similarity NPC90952
0.8785 High Similarity NPC4573
0.875 High Similarity NPC478208
0.8738 High Similarity NPC478057
0.8738 High Similarity NPC95899
0.8738 High Similarity NPC36688
0.8738 High Similarity NPC282233
0.8738 High Similarity NPC471208
0.8738 High Similarity NPC95585
0.8713 High Similarity NPC216478
0.8713 High Similarity NPC23364
0.87 High Similarity NPC29952
0.8673 High Similarity NPC233345
0.8673 High Similarity NPC186363
0.8654 High Similarity NPC222161
0.8649 High Similarity NPC475775
0.8649 High Similarity NPC476529
0.8641 High Similarity NPC136289
0.8641 High Similarity NPC476081
0.8636 High Similarity NPC134430
0.8627 High Similarity NPC471041
0.8614 High Similarity NPC474343
0.86 High Similarity NPC183012
0.8585 High Similarity NPC325054
0.8585 High Similarity NPC476802
0.8585 High Similarity NPC89171
0.8571 High Similarity NPC158488
0.8571 High Similarity NPC102352
0.8571 High Similarity NPC109607
0.8571 High Similarity NPC107338
0.8544 High Similarity NPC63249
0.8544 High Similarity NPC81530
0.8529 High Similarity NPC58942
0.8529 High Similarity NPC234617
0.8529 High Similarity NPC260149
0.8529 High Similarity NPC478056
0.8529 High Similarity NPC124703
0.8519 High Similarity NPC469656
0.8519 High Similarity NPC474846
0.8519 High Similarity NPC469655
0.8505 High Similarity NPC474243
0.8505 High Similarity NPC478210
0.85 High Similarity NPC57117
0.8491 Intermediate Similarity NPC3316
0.8491 Intermediate Similarity NPC144854
0.8491 Intermediate Similarity NPC230541
0.8482 Intermediate Similarity NPC473636
0.8482 Intermediate Similarity NPC77689
0.8482 Intermediate Similarity NPC475041
0.8469 Intermediate Similarity NPC116620
0.8468 Intermediate Similarity NPC473590
0.8468 Intermediate Similarity NPC475809
0.8468 Intermediate Similarity NPC284068
0.8462 Intermediate Similarity NPC134077
0.8462 Intermediate Similarity NPC476769
0.8447 Intermediate Similarity NPC477971
0.8447 Intermediate Similarity NPC219285
0.8447 Intermediate Similarity NPC476767
0.8447 Intermediate Similarity NPC201406
0.8447 Intermediate Similarity NPC117685
0.8447 Intermediate Similarity NPC20113
0.8447 Intermediate Similarity NPC477972
0.8447 Intermediate Similarity NPC477968
0.8447 Intermediate Similarity NPC228251
0.8447 Intermediate Similarity NPC161527
0.8447 Intermediate Similarity NPC251680
0.8431 Intermediate Similarity NPC189880
0.8426 Intermediate Similarity NPC478211
0.8426 Intermediate Similarity NPC472666
0.8426 Intermediate Similarity NPC5103
0.8426 Intermediate Similarity NPC478209
0.8426 Intermediate Similarity NPC197428
0.8426 Intermediate Similarity NPC253906
0.8416 Intermediate Similarity NPC259042
0.8416 Intermediate Similarity NPC90014
0.8416 Intermediate Similarity NPC157686
0.8416 Intermediate Similarity NPC473240
0.8411 Intermediate Similarity NPC277017
0.8411 Intermediate Similarity NPC154608
0.8411 Intermediate Similarity NPC192813
0.8411 Intermediate Similarity NPC476479
0.84 Intermediate Similarity NPC474436
0.84 Intermediate Similarity NPC49776
0.84 Intermediate Similarity NPC63118
0.8396 Intermediate Similarity NPC278628
0.8396 Intermediate Similarity NPC231530
0.8396 Intermediate Similarity NPC478052
0.8396 Intermediate Similarity NPC127609
0.8384 Intermediate Similarity NPC152467
0.8381 Intermediate Similarity NPC275583
0.8381 Intermediate Similarity NPC120321
0.8367 Intermediate Similarity NPC277771
0.8365 Intermediate Similarity NPC472637
0.8365 Intermediate Similarity NPC235142
0.8364 Intermediate Similarity NPC469463
0.8364 Intermediate Similarity NPC469454
0.8364 Intermediate Similarity NPC469496
0.835 Intermediate Similarity NPC476807
0.835 Intermediate Similarity NPC476806
0.835 Intermediate Similarity NPC475876
0.8349 Intermediate Similarity NPC247031
0.8349 Intermediate Similarity NPC100329
0.8349 Intermediate Similarity NPC132790
0.8349 Intermediate Similarity NPC97939
0.8349 Intermediate Similarity NPC188738
0.8348 Intermediate Similarity NPC469789
0.8348 Intermediate Similarity NPC67251
0.8333 Intermediate Similarity NPC29410
0.8333 Intermediate Similarity NPC143706
0.8333 Intermediate Similarity NPC476318
0.8333 Intermediate Similarity NPC134072
0.8333 Intermediate Similarity NPC472534
0.8333 Intermediate Similarity NPC141350
0.8333 Intermediate Similarity NPC234993
0.8333 Intermediate Similarity NPC476327
0.8333 Intermediate Similarity NPC200054
0.8333 Intermediate Similarity NPC31522
0.8319 Intermediate Similarity NPC211093
0.8319 Intermediate Similarity NPC476960
0.8319 Intermediate Similarity NPC473839
0.8318 Intermediate Similarity NPC301666
0.8318 Intermediate Similarity NPC67321
0.8318 Intermediate Similarity NPC187435
0.8317 Intermediate Similarity NPC225474
0.8317 Intermediate Similarity NPC469596
0.8317 Intermediate Similarity NPC148000
0.8317 Intermediate Similarity NPC471207
0.8317 Intermediate Similarity NPC91010
0.8304 Intermediate Similarity NPC98249
0.8304 Intermediate Similarity NPC53396
0.8304 Intermediate Similarity NPC469684
0.8302 Intermediate Similarity NPC96268
0.8302 Intermediate Similarity NPC118911
0.83 Intermediate Similarity NPC72845
0.83 Intermediate Similarity NPC472975
0.8288 Intermediate Similarity NPC473798
0.8288 Intermediate Similarity NPC474181
0.8286 Intermediate Similarity NPC137430
0.8286 Intermediate Similarity NPC295791
0.8286 Intermediate Similarity NPC235369
0.8283 Intermediate Similarity NPC474396
0.8283 Intermediate Similarity NPC50488
0.8276 Intermediate Similarity NPC24651
0.8276 Intermediate Similarity NPC8369
0.8276 Intermediate Similarity NPC470922
0.8273 Intermediate Similarity NPC472002
0.8273 Intermediate Similarity NPC470063
0.8273 Intermediate Similarity NPC476801
0.8269 Intermediate Similarity NPC476299
0.8269 Intermediate Similarity NPC476274
0.8269 Intermediate Similarity NPC474012
0.8265 Intermediate Similarity NPC305029
0.8261 Intermediate Similarity NPC269642
0.8252 Intermediate Similarity NPC84335
0.8252 Intermediate Similarity NPC51499
0.8252 Intermediate Similarity NPC91695
0.8252 Intermediate Similarity NPC170131
0.8252 Intermediate Similarity NPC76266
0.8252 Intermediate Similarity NPC473963
0.8252 Intermediate Similarity NPC38530
0.8252 Intermediate Similarity NPC70145
0.8252 Intermediate Similarity NPC253826
0.8246 Intermediate Similarity NPC476962
0.8246 Intermediate Similarity NPC476961
0.8241 Intermediate Similarity NPC475263
0.8241 Intermediate Similarity NPC473483
0.8241 Intermediate Similarity NPC300614
0.8241 Intermediate Similarity NPC90946
0.8241 Intermediate Similarity NPC94529
0.8235 Intermediate Similarity NPC139570
0.8235 Intermediate Similarity NPC98639

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC110496 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
0.8529 High Similarity NPD7638 Approved
0.8447 Intermediate Similarity NPD7640 Approved
0.8447 Intermediate Similarity NPD7639 Approved
0.8077 Intermediate Similarity NPD7902 Approved
0.7961 Intermediate Similarity NPD7748 Approved
0.7941 Intermediate Similarity NPD7515 Phase 2
0.789 Intermediate Similarity NPD6008 Approved
0.783 Intermediate Similarity NPD4225 Approved
0.7826 Intermediate Similarity NPD7115 Discovery
0.7788 Intermediate Similarity NPD7900 Approved
0.7788 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7632 Discontinued
0.7767 Intermediate Similarity NPD6079 Approved
0.775 Intermediate Similarity NPD7507 Approved
0.7748 Intermediate Similarity NPD6881 Approved
0.7748 Intermediate Similarity NPD6686 Approved
0.7748 Intermediate Similarity NPD6899 Approved
0.7745 Intermediate Similarity NPD5328 Approved
0.7727 Intermediate Similarity NPD6675 Approved
0.7727 Intermediate Similarity NPD7128 Approved
0.7727 Intermediate Similarity NPD6402 Approved
0.7727 Intermediate Similarity NPD5739 Approved
0.77 Intermediate Similarity NPD1694 Approved
0.7699 Intermediate Similarity NPD6649 Approved
0.7699 Intermediate Similarity NPD6650 Approved
0.7692 Intermediate Similarity NPD6399 Phase 3
0.7679 Intermediate Similarity NPD6373 Approved
0.7679 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD6372 Approved
0.7658 Intermediate Similarity NPD5697 Approved
0.7624 Intermediate Similarity NPD3618 Phase 1
0.7611 Intermediate Similarity NPD6883 Approved
0.7611 Intermediate Similarity NPD7290 Approved
0.7611 Intermediate Similarity NPD7102 Approved
0.7611 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD6011 Approved
0.7589 Intermediate Similarity NPD7320 Approved
0.7565 Intermediate Similarity NPD4632 Approved
0.7561 Intermediate Similarity NPD7319 Approved
0.7549 Intermediate Similarity NPD3573 Approved
0.7544 Intermediate Similarity NPD6617 Approved
0.7544 Intermediate Similarity NPD6847 Approved
0.7544 Intermediate Similarity NPD6869 Approved
0.7544 Intermediate Similarity NPD8130 Phase 1
0.7522 Intermediate Similarity NPD6013 Approved
0.7522 Intermediate Similarity NPD6014 Approved
0.7522 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD5701 Approved
0.748 Intermediate Similarity NPD7736 Approved
0.7478 Intermediate Similarity NPD6882 Approved
0.7478 Intermediate Similarity NPD6053 Discontinued
0.7478 Intermediate Similarity NPD8297 Approved
0.7476 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD8328 Phase 3
0.7429 Intermediate Similarity NPD8035 Phase 2
0.7429 Intermediate Similarity NPD8034 Phase 2
0.74 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD7492 Approved
0.7373 Intermediate Similarity NPD6009 Approved
0.7353 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6054 Approved
0.7333 Intermediate Similarity NPD6319 Approved
0.7317 Intermediate Similarity NPD6616 Approved
0.7315 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD5221 Approved
0.7315 Intermediate Similarity NPD4697 Phase 3
0.7315 Intermediate Similarity NPD5222 Approved
0.7297 Intermediate Similarity NPD5211 Phase 2
0.7295 Intermediate Similarity NPD7604 Phase 2
0.7282 Intermediate Similarity NPD7146 Approved
0.7282 Intermediate Similarity NPD6409 Approved
0.7282 Intermediate Similarity NPD5330 Approved
0.7282 Intermediate Similarity NPD7521 Approved
0.7282 Intermediate Similarity NPD7334 Approved
0.7282 Intermediate Similarity NPD6684 Approved
0.7281 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5286 Approved
0.7273 Intermediate Similarity NPD4696 Approved
0.7273 Intermediate Similarity NPD5983 Phase 2
0.7273 Intermediate Similarity NPD5285 Approved
0.7258 Intermediate Similarity NPD7078 Approved
0.7255 Intermediate Similarity NPD4786 Approved
0.7248 Intermediate Similarity NPD5173 Approved
0.7248 Intermediate Similarity NPD4755 Approved
0.7228 Intermediate Similarity NPD3667 Approved
0.7227 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD6370 Approved
0.7207 Intermediate Similarity NPD5223 Approved
0.7196 Intermediate Similarity NPD4202 Approved
0.7196 Intermediate Similarity NPD5778 Approved
0.7196 Intermediate Similarity NPD5779 Approved
0.7193 Intermediate Similarity NPD6412 Phase 2
0.719 Intermediate Similarity NPD6059 Approved
0.7177 Intermediate Similarity NPD6336 Discontinued
0.7168 Intermediate Similarity NPD5141 Approved
0.7167 Intermediate Similarity NPD7327 Approved
0.7167 Intermediate Similarity NPD7328 Approved
0.7167 Intermediate Similarity NPD6335 Approved
0.7143 Intermediate Similarity NPD5224 Approved
0.7143 Intermediate Similarity NPD6903 Approved
0.7143 Intermediate Similarity NPD5225 Approved
0.7143 Intermediate Similarity NPD5226 Approved
0.7143 Intermediate Similarity NPD4633 Approved
0.7143 Intermediate Similarity NPD6274 Approved
0.7143 Intermediate Similarity NPD6868 Approved
0.7131 Intermediate Similarity NPD8033 Approved
0.7131 Intermediate Similarity NPD8513 Phase 3
0.7131 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD6016 Approved
0.7131 Intermediate Similarity NPD8516 Approved
0.7131 Intermediate Similarity NPD8515 Approved
0.7131 Intermediate Similarity NPD6015 Approved
0.7131 Intermediate Similarity NPD8517 Approved
0.712 Intermediate Similarity NPD8293 Discontinued
0.7117 Intermediate Similarity NPD4700 Approved
0.7107 Intermediate Similarity NPD7516 Approved
0.7107 Intermediate Similarity NPD7100 Approved
0.7107 Intermediate Similarity NPD7101 Approved
0.7103 Intermediate Similarity NPD6411 Approved
0.7091 Intermediate Similarity NPD6084 Phase 2
0.7091 Intermediate Similarity NPD6083 Phase 2
0.7087 Intermediate Similarity NPD3665 Phase 1
0.7087 Intermediate Similarity NPD3666 Approved
0.7087 Intermediate Similarity NPD3133 Approved
0.7083 Intermediate Similarity NPD6317 Approved
0.708 Intermediate Similarity NPD5174 Approved
0.708 Intermediate Similarity NPD5175 Approved
0.7073 Intermediate Similarity NPD5988 Approved
0.7069 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD8377 Approved
0.7049 Intermediate Similarity NPD8294 Approved
0.7031 Intermediate Similarity NPD7260 Phase 2
0.7025 Intermediate Similarity NPD6314 Approved
0.7025 Intermediate Similarity NPD6313 Approved
0.7009 Intermediate Similarity NPD4634 Approved
0.7009 Intermediate Similarity NPD6698 Approved
0.7009 Intermediate Similarity NPD46 Approved
0.6992 Remote Similarity NPD7503 Approved
0.6992 Remote Similarity NPD8380 Approved
0.6992 Remote Similarity NPD8296 Approved
0.6992 Remote Similarity NPD8379 Approved
0.6992 Remote Similarity NPD8335 Approved
0.6992 Remote Similarity NPD8378 Approved
0.6981 Remote Similarity NPD5737 Approved
0.6981 Remote Similarity NPD6672 Approved
0.6975 Remote Similarity NPD8133 Approved
0.6931 Remote Similarity NPD7645 Phase 2
0.693 Remote Similarity NPD4754 Approved
0.6916 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6916 Remote Similarity NPD6101 Approved
0.6916 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6903 Remote Similarity NPD5344 Discontinued
0.6875 Remote Similarity NPD5696 Approved
0.6864 Remote Similarity NPD6371 Approved
0.6855 Remote Similarity NPD6908 Approved
0.6855 Remote Similarity NPD6909 Approved
0.6852 Remote Similarity NPD5785 Approved
0.6846 Remote Similarity NPD6845 Suspended
0.6838 Remote Similarity NPD4729 Approved
0.6838 Remote Similarity NPD4730 Approved
0.6838 Remote Similarity NPD5128 Approved
0.6818 Remote Similarity NPD6001 Approved
0.681 Remote Similarity NPD4768 Approved
0.681 Remote Similarity NPD4767 Approved
0.6797 Remote Similarity NPD6033 Approved
0.6792 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5693 Phase 1
0.6757 Remote Similarity NPD5695 Phase 3
0.6752 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6746 Remote Similarity NPD6067 Discontinued
0.6723 Remote Similarity NPD5249 Phase 3
0.6723 Remote Similarity NPD5251 Approved
0.6723 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6723 Remote Similarity NPD5247 Approved
0.6723 Remote Similarity NPD5135 Approved
0.6723 Remote Similarity NPD5169 Approved
0.6723 Remote Similarity NPD5250 Approved
0.6723 Remote Similarity NPD5248 Approved
0.6719 Remote Similarity NPD8074 Phase 3
0.6699 Remote Similarity NPD7525 Registered
0.6699 Remote Similarity NPD4695 Discontinued
0.6698 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7614 Phase 1
0.6695 Remote Similarity NPD5168 Approved
0.6667 Remote Similarity NPD6648 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD6115 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6118 Approved
0.6667 Remote Similarity NPD6114 Approved
0.6667 Remote Similarity NPD6697 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6636 Remote Similarity NPD7637 Suspended
0.6636 Remote Similarity NPD5284 Approved

Structure

External Identifiers

PubChem CID   10572244
ChEMBL   CHEMBL250263
ZINC  

Physicochemical Properties

Molecular Weight:  386.28
ALogP:  1.4586
MLogP:  3.88
XLogP:  7.564
# Rotatable Bonds:  6
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  28

Download Data

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Structure MOL file  
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Biological Activities  
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