Natural Product: NPC153923

Natural Product ID:  NPC153923
Common Name:   Sclerotiamide
IUPAC Name:  
Synonyms:   Sclerotiamide
Molecular Formula:   C26H29N3O5
Standard InCHIKey:  CFJMAERFDLWMJL-LQKPOZSPSA-N
Standard InCHI:  InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1
Canonical SMILES:  OC1=Nc2c([C@@]31[C@H](O)[C@@]14[C@H](C3(C)C)C[C@@]3(C(=N1)O)N(C4=O)CCC3)ccc1c2C=CC(O1)(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
NPO31572 Aspergillus sp. Species Aspergillaceae Eukaryota Isolated from a sandy-loam soil sample 50 m inland from Waikiki Beach, Honolulu, Hawaii 2010-JUL PMID[22400916]
NPO21679 Nuphar lutea Species Nymphaeaceae Eukaryota UNPD*
NPO19901 Emilia sonchifolia Species Asteraceae Eukaryota UNPD*
NPO16044 Cupressus lawsoniana Species Cupressaceae Eukaryota UNPD*
NPO19986 Crataegus davisii Species Rosaceae Eukaryota UNPD*
NPO11966 Euphorbia kamerunica Species Euphorbiaceae Eukaryota UNPD*
NPO20813 Myrmica sabuleti Species Formicidae Eukaryota UNPD*
NPO19017 Prangos pabularia Species Apiaceae Eukaryota UNPD*
NPO22510 Eupatorium havanense Species Asteraceae Eukaryota UNPD*
NPO16454 Crinum erubescens Species Amaryllidaceae Eukaryota UNPD*
NPO20739 Jungermannia hyalina Species Jungermanniaceae Eukaryota UNPD*
NPO21005 Baphia nitida Species Fabaceae Eukaryota UNPD*
NPO21486 Marrubium alysson Species Lamiaceae Eukaryota UNPD*
NPO26840 Litsea aciculata Species Lauraceae Eukaryota UNPD*
NPO14136 Acherontia atropus Species Sphingidae Eukaryota UNPD*
NPO19488 Trifolium subterraneum Species Fabaceae Eukaryota UNPD*
NPO14330 Agave aurea Species Asparagaceae Eukaryota UNPD*
NPO20408 Ajuga spectabilis Species Lamiaceae Eukaryota UNPD*
NPO3777 Stevia chamaedrys Species Asteraceae Eukaryota UNPD*
NPO15216 Encephalartos altensteinii Species Zamiaceae Eukaryota UNPD*
NPO21289 Teucrium oxylepis Species Lamiaceae Eukaryota UNPD*
NPO20340 Pausinystalia mayumbensis Species Rubiaceae Eukaryota UNPD*
NPO16907 Pentzia incana Species Asteraceae Eukaryota UNPD*
NPO20931 Simaba multiflora Species Simaroubaceae Eukaryota UNPD*
NPO21550 Achillea macrophylla Species Asteraceae Eukaryota UNPD*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota UNPD*
NPO14466 Penicillium olsonii Species Aspergillaceae Eukaryota UNPD*
NPO4343 Guanomyces polythrix Species NA Eukaryota UNPD*
NPO19773 Xenorhabdus bovienii Species Morganellaceae Bacteria UNPD*
NPO21231 Astragalus tragacantha Species Fabaceae Eukaryota UNPD*
NPO18096 Excoecaria oppositifolia Species Euphorbiaceae Eukaryota UNPD*
NPO21365 Ligularia muliensis Species Asteraceae Eukaryota UNPD*
NPO17515 Pronephrium triphyllum Species Thelypteridaceae Eukaryota UNPD*
NPO20212 Callistemon viminalis Species Myrtaceae Eukaryota UNPD*
NPO2854 Gymnosporia senegalensis Species Celastraceae Eukaryota UNPD*
NPO11622.1 Shuteria involucrata var. vestita Varieties Fabaceae Eukaryota UNPD*
NPO21618 Ircinia oros Species Irciniidae Eukaryota UNPD*
NPO21088 Litsea pulchella Species Lauraceae Eukaryota UNPD*
NPO20546 Cissus pallidiflorus Species Vitaceae Eukaryota UNPD*
NPO20872 Melampodium heterophyllum Species Asteraceae Eukaryota UNPD*
NPO19192 Sinocalamus affinis Species NA NA UNPD*
NPO32643 aspergillus westerdijkiae dffscs013 Species Aspergillaceae Eukaryota PMID[23701598]
NPO13260 Eria foetida Species Orchidaceae Eukaryota UNPD*
NPO18620 Grindelia acutifolia Species Asteraceae Eukaryota UNPD*
NPO20671 Selliguea feei Species Polypodiaceae Eukaryota UNPD*
NPO21426 Alstroemeria revoluta Species Alstroemeriaceae Eukaryota UNPD*
NPO8678 Trillium camschatcense Species Melanthiaceae Eukaryota UNPD*
NPO19622 Euphorbia marginata Species Euphorbiaceae Eukaryota UNPD*
NPO17256 Kobresia nepalensis Species Cyperaceae Eukaryota UNPD*
NPO20051 Gardenia collinsae Species Rubiaceae Eukaryota UNPD*
NPO3237 Mytilus edulis Species Mytilidae Eukaryota UNPD*
NPO20612 Ursinia abrotanifolia Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT915 Organism Helicoverpa zea Helicoverpa zea Activity = 46 % 8946752
NPT915 Organism Helicoverpa zea Helicoverpa zea Activity = 98 % 8946752
NPT4733 Organism Carpophilus Carpophilus GI50 > 25 ug/ml 8946752
NPT2 Others Unspecified Activity = 44 % 8946752
NPT20 Organism Candida albicans Candida albicans MIC > 200000 nM 22400916
NPT20 Organism Candida albicans Candida albicans IC50 = 93500 nM 22400916
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 23701598
NPT111 Cell Line K562 Homo sapiens IC50 = 26000 nM 23701598
NPT116 Cell Line HL-60 Homo sapiens IC50 = 45000 nM 23701598
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 23701598

  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 NPC153923 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
0.9796 High Similarity NPC37957
0.9485 High Similarity NPC205926
0.8925 High Similarity NPC49583
0.8447 Intermediate Similarity NPC476651
0.8157 Intermediate Similarity NPC266994
0.8082 Intermediate Similarity NPC74216
0.8018 Intermediate Similarity NPC250960
0.8018 Intermediate Similarity NPC71539
0.7931 Intermediate Similarity NPC204970
0.7907 Intermediate Similarity NPC470001
0.7907 Intermediate Similarity NPC470002
0.7883 Intermediate Similarity NPC470821
0.7612 Intermediate Similarity NPC39822
0.7585 Intermediate Similarity NPC189079
0.7573 Intermediate Similarity NPC174629
0.7542 Intermediate Similarity NPC133609
0.7489 Intermediate Similarity NPC131486
0.7477 Intermediate Similarity NPC219397
0.7411 Intermediate Similarity NPC46259
0.7281 Intermediate Similarity NPC14339
0.7212 Intermediate Similarity NPC473007
0.7207 Intermediate Similarity NPC127996
0.7156 Intermediate Similarity NPC473008
0.7123 Intermediate Similarity NPC28510
0.7097 Intermediate Similarity NPC67904
0.7093 Intermediate Similarity NPC222046
0.7089 Intermediate Similarity NPC473004
0.7075 Intermediate Similarity NPC473569
0.7049 Intermediate Similarity NPC244543
0.7009 Intermediate Similarity NPC82541
0.6996 Remote Similarity NPC477160
0.6955 Remote Similarity NPC473005
0.6943 Remote Similarity NPC288110
0.6937 Remote Similarity NPC477161
0.6927 Remote Similarity NPC100863
0.6923 Remote Similarity NPC473460
0.6913 Remote Similarity NPC318525
0.6913 Remote Similarity NPC10653
0.6904 Remote Similarity NPC151171
0.6894 Remote Similarity NPC477397
0.6892 Remote Similarity NPC87714
0.6889 Remote Similarity NPC14390
0.6886 Remote Similarity NPC234772
0.688 Remote Similarity NPC470480
0.6867 Remote Similarity NPC122886
0.6866 Remote Similarity NPC243626
0.6866 Remote Similarity NPC230313
0.6837 Remote Similarity NPC474059
0.6837 Remote Similarity NPC283207
0.6833 Remote Similarity NPC474183
0.6833 Remote Similarity NPC470784
0.683 Remote Similarity NPC79130
0.6828 Remote Similarity NPC159815
0.6826 Remote Similarity NPC77777
0.6826 Remote Similarity NPC303658
0.6809 Remote Similarity NPC473458
0.6809 Remote Similarity NPC471513
0.6794 Remote Similarity NPC211713
0.6794 Remote Similarity NPC88378
0.6787 Remote Similarity NPC138830
0.678 Remote Similarity NPC469479
0.678 Remote Similarity NPC254700
0.6776 Remote Similarity NPC262725
0.677 Remote Similarity NPC471561
0.6763 Remote Similarity NPC470785
0.6762 Remote Similarity NPC477393
0.6758 Remote Similarity NPC308709
0.6757 Remote Similarity NPC232600
0.6754 Remote Similarity NPC10732
0.6749 Remote Similarity NPC469722
0.6749 Remote Similarity NPC477395
0.6729 Remote Similarity NPC315542
0.6726 Remote Similarity NPC474077
0.6723 Remote Similarity NPC115588
0.6722 Remote Similarity NPC184680
0.6712 Remote Similarity NPC127178
0.6707 Remote Similarity NPC477396
0.6699 Remote Similarity NPC21752
0.6699 Remote Similarity NPC298851
0.6699 Remote Similarity NPC181138
0.6699 Remote Similarity NPC293255
0.6699 Remote Similarity NPC276993
0.6699 Remote Similarity NPC210415
0.6696 Remote Similarity NPC293347
0.6683 Remote Similarity NPC67080
0.6667 Remote Similarity NPC329731
0.6667 Remote Similarity NPC203972
0.6667 Remote Similarity NPC473422
0.6667 Remote Similarity NPC471825
0.6667 Remote Similarity NPC4910
0.6667 Remote Similarity NPC197125
0.6652 Remote Similarity NPC108826
0.6652 Remote Similarity NPC217903
0.6652 Remote Similarity NPC311357
0.6652 Remote Similarity NPC473006
0.6651 Remote Similarity NPC206061
0.6651 Remote Similarity NPC475421
0.6651 Remote Similarity NPC22476
0.6639 Remote Similarity NPC194740
0.6638 Remote Similarity NPC126556
0.6636 Remote Similarity NPC470112
0.6636 Remote Similarity NPC470903
0.6636 Remote Similarity NPC167763
0.6624 Remote Similarity NPC128115
0.6624 Remote Similarity NPC476436
0.6623 Remote Similarity NPC314817
0.6623 Remote Similarity NPC66191
0.6623 Remote Similarity NPC316297
0.6618 Remote Similarity NPC71205
0.6609 Remote Similarity NPC116178
0.6609 Remote Similarity NPC470482
0.6609 Remote Similarity NPC470481
0.6608 Remote Similarity NPC198160
0.6606 Remote Similarity NPC303214
0.6585 Remote Similarity NPC263709
0.6585 Remote Similarity NPC63210
0.6585 Remote Similarity NPC243673
0.6585 Remote Similarity NPC97380
0.6585 Remote Similarity NPC310403
0.6585 Remote Similarity NPC148468
0.658 Remote Similarity NPC321166
0.657 Remote Similarity NPC293164
0.657 Remote Similarity NPC471394
0.6568 Remote Similarity NPC148124
0.6561 Remote Similarity NPC184933
0.6561 Remote Similarity NPC59827
0.656 Remote Similarity NPC217294
0.6555 Remote Similarity NPC469505
0.655 Remote Similarity NPC475133
0.655 Remote Similarity NPC168250
0.6543 Remote Similarity NPC291173
0.6538 Remote Similarity NPC470069
0.6538 Remote Similarity NPC52059
0.6537 Remote Similarity NPC264176
0.6527 Remote Similarity NPC248903
0.6525 Remote Similarity NPC99724
0.652 Remote Similarity NPC470484
0.6516 Remote Similarity NPC470485
0.6513 Remote Similarity NPC477394
0.6509 Remote Similarity NPC30749
0.6502 Remote Similarity NPC161804
0.6502 Remote Similarity NPC272706
0.65 Remote Similarity NPC203628
0.6498 Remote Similarity NPC299806
0.6495 Remote Similarity NPC126515
0.6495 Remote Similarity NPC472331
0.6495 Remote Similarity NPC274002
0.6494 Remote Similarity NPC471532
0.6491 Remote Similarity NPC195787
0.6491 Remote Similarity NPC246140
0.649 Remote Similarity NPC472923
0.6489 Remote Similarity NPC475489
0.6488 Remote Similarity NPC476429
0.6485 Remote Similarity NPC26928
0.6484 Remote Similarity NPC471395
0.6481 Remote Similarity NPC189661
0.6479 Remote Similarity NPC168153
0.6479 Remote Similarity NPC476441
0.6476 Remote Similarity NPC41216
0.6473 Remote Similarity NPC477527
0.6471 Remote Similarity NPC475565
0.6471 Remote Similarity NPC475349
0.6471 Remote Similarity NPC475292
0.6468 Remote Similarity NPC276120
0.6466 Remote Similarity NPC119722
0.6466 Remote Similarity NPC260909
0.6466 Remote Similarity NPC305542
0.646 Remote Similarity NPC472329
0.646 Remote Similarity NPC472330
0.6459 Remote Similarity NPC471396
0.6456 Remote Similarity NPC153694
0.6456 Remote Similarity NPC211525
0.6449 Remote Similarity NPC127082
0.6447 Remote Similarity NPC475147
0.6444 Remote Similarity NPC231924
0.6442 Remote Similarity NPC472121
0.6439 Remote Similarity NPC161827
0.6438 Remote Similarity NPC21425
0.6432 Remote Similarity NPC295898
0.6432 Remote Similarity NPC15987
0.6432 Remote Similarity NPC52801
0.6429 Remote Similarity NPC251071
0.6429 Remote Similarity NPC67401
0.6426 Remote Similarity NPC305984
0.6425 Remote Similarity NPC470483
0.6418 Remote Similarity NPC9373
0.6415 Remote Similarity NPC89831
0.6414 Remote Similarity NPC476069
0.6411 Remote Similarity NPC469452
0.6406 Remote Similarity NPC98197
0.6402 Remote Similarity NPC475442
0.64 Remote Similarity NPC234933
0.6393 Remote Similarity NPC291759
0.6391 Remote Similarity NPC478075
0.6389 Remote Similarity NPC166169
0.6387 Remote Similarity NPC329830
0.6387 Remote Similarity NPC128476
0.6385 Remote Similarity NPC137627
0.6385 Remote Similarity NPC476425
0.6383 Remote Similarity NPC471531

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC153923 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
0.7014 Intermediate Similarity NPD7174 Clinical (unspecified phase)
0.6861 Remote Similarity NPD8161 Suspended
0.6818 Remote Similarity NPD7811 Phase 3
0.6818 Remote Similarity NPD7810 Phase 3
0.6806 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6766 Remote Similarity NPD5617 Suspended
0.6651 Remote Similarity NPD2215 Approved
0.6651 Remote Similarity NPD2216 Approved
0.6638 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6636 Remote Similarity NPD4771 Phase 2
0.6636 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6635 Remote Similarity NPD4986 Clinical (unspecified phase)
0.6634 Remote Similarity NPD5967 Approved
0.6593 Remote Similarity NPD3298 Approved
0.6587 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6587 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6558 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6542 Remote Similarity NPD4981 Phase 2
0.6518 Remote Similarity NPD3297 Approved
0.6513 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6507 Remote Similarity NPD2904 Discontinued
0.6502 Remote Similarity NPD4605 Approved
0.6502 Remote Similarity NPD8428 Approved
0.6502 Remote Similarity NPD8427 Approved
0.6502 Remote Similarity NPD8429 Approved
0.6502 Remote Similarity NPD4604 Approved
0.6496 Remote Similarity NPD8461 Discontinued
0.6478 Remote Similarity NPD3591 Approved
0.6478 Remote Similarity NPD3592 Approved
0.6471 Remote Similarity NPD3601 Discontinued
0.6471 Remote Similarity NPD7820 Phase 3
0.6466 Remote Similarity NPD8460 Approved
0.6466 Remote Similarity NPD8459 Approved
0.6463 Remote Similarity NPD7025 Clinical (unspecified phase)
0.646 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6453 Remote Similarity NPD7131 Phase 3
0.6436 Remote Similarity NPD7019 Approved
0.6436 Remote Similarity NPD7020 Approved
0.6429 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6425 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6419 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6417 Remote Similarity NPD7426 Phase 1
0.6415 Remote Similarity NPD2388 Discontinued
0.6415 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6409 Remote Similarity NPD5620 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3802 Phase 3
0.6394 Remote Similarity NPD6063 Approved
0.6392 Remote Similarity NPD8255 Phase 2
0.639 Remote Similarity NPD5811 Approved
0.6388 Remote Similarity NPD6321 Discontinued
0.6388 Remote Similarity NPD6238 Discontinued
0.6383 Remote Similarity NPD5562 Approved
0.6383 Remote Similarity NPD5561 Approved
0.6379 Remote Similarity NPD5645 Phase 3
0.6377 Remote Similarity NPD8466 Approved
0.6377 Remote Similarity NPD8465 Approved
0.6377 Remote Similarity NPD8467 Approved
0.6372 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6371 Remote Similarity NPD5496 Approved
0.6368 Remote Similarity NPD7315 Approved
0.6364 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6356 Remote Similarity NPD2974 Approved
0.6356 Remote Similarity NPD2973 Approved
0.6356 Remote Similarity NPD3949 Clinical (unspecified phase)
0.6356 Remote Similarity NPD2975 Approved
0.6344 Remote Similarity NPD4580 Approved
0.6336 Remote Similarity NPD8363 Approved
0.6336 Remote Similarity NPD8364 Approved
0.6333 Remote Similarity NPD3912 Discontinued
0.6321 Remote Similarity NPD6457 Approved
0.6318 Remote Similarity NPD3153 Approved
0.6318 Remote Similarity NPD3154 Approved
0.6316 Remote Similarity NPD7048 Phase 3
0.6311 Remote Similarity NPD8249 Clinical (unspecified phase)
0.6308 Remote Similarity NPD2248 Approved
0.6308 Remote Similarity NPD2246 Approved
0.6306 Remote Similarity NPD2845 Phase 2
0.6306 Remote Similarity NPD2843 Phase 2
0.6304 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6301 Remote Similarity NPD7281 Phase 3
0.6301 Remote Similarity NPD7280 Phase 3
0.63 Remote Similarity NPD3655 Clinical (unspecified phase)
0.6296 Remote Similarity NPD3793 Phase 3
0.6296 Remote Similarity NPD3965 Phase 1
0.6293 Remote Similarity NPD8027 Approved
0.629 Remote Similarity NPD3119 Phase 1
0.629 Remote Similarity NPD3120 Approved
0.629 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6289 Remote Similarity NPD8492 Approved
0.6288 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6283 Remote Similarity NPD8425 Approved
0.6283 Remote Similarity NPD8426 Approved
0.6281 Remote Similarity NPD7186 Phase 3
0.6278 Remote Similarity NPD6504 Approved
0.6278 Remote Similarity NPD6505 Approved
0.6276 Remote Similarity NPD3437 Discontinued
0.6272 Remote Similarity NPD6519 Phase 2
0.6271 Remote Similarity NPD7559 Phase 2
0.627 Remote Similarity NPD7589 Clinical (unspecified phase)
0.627 Remote Similarity NPD8359 Phase 2
0.6269 Remote Similarity NPD8107 Approved
0.6262 Remote Similarity NPD814 Clinical (unspecified phase)
0.6261 Remote Similarity NPD1339 Discontinued
0.6261 Remote Similarity NPD7497 Discontinued
0.6255 Remote Similarity NPD8108 Approved
0.625 Remote Similarity NPD7118 Clinical (unspecified phase)
0.625 Remote Similarity NPD5937 Approved
0.6245 Remote Similarity NPD3441 Approved
0.6245 Remote Similarity NPD8149 Discontinued
0.6245 Remote Similarity NPD2493 Approved
0.6245 Remote Similarity NPD3450 Approved
0.6245 Remote Similarity NPD3442 Approved
0.6245 Remote Similarity NPD2494 Approved
0.6245 Remote Similarity NPD3452 Approved
0.6244 Remote Similarity NPD7485 Phase 3
0.6244 Remote Similarity NPD7484 Phase 3
0.624 Remote Similarity NPD6790 Phase 1
0.6239 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6239 Remote Similarity NPD3823 Discontinued
0.6239 Remote Similarity NPD4361 Phase 2
0.6239 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6239 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6234 Remote Similarity NPD5102 Clinical (unspecified phase)
0.6234 Remote Similarity NPD6644 Discontinued
0.6234 Remote Similarity NPD4040 Phase 1
0.6234 Remote Similarity NPD4583 Approved
0.6234 Remote Similarity NPD4582 Approved
0.6228 Remote Similarity NPD6874 Approved
0.6228 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6224 Remote Similarity NPD8311 Discontinued
0.6224 Remote Similarity NPD6997 Phase 2
0.6222 Remote Similarity NPD4539 Phase 1
0.6221 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6221 Remote Similarity NPD5313 Approved
0.6221 Remote Similarity NPD5312 Approved
0.6217 Remote Similarity NPD3106 Clinical (unspecified phase)
0.6217 Remote Similarity NPD5848 Clinical (unspecified phase)
0.6215 Remote Similarity NPD7608 Discontinued
0.621 Remote Similarity NPD6104 Discontinued
0.6205 Remote Similarity NPD2490 Approved
0.6205 Remote Similarity NPD2488 Approved
0.6205 Remote Similarity NPD3808 Clinical (unspecified phase)
0.62 Remote Similarity NPD7560 Approved
0.6199 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6197 Remote Similarity NPD6037 Discontinued
0.6196 Remote Similarity NPD8367 Approved
0.6194 Remote Similarity NPD4373 Phase 2
0.6193 Remote Similarity NPD5557 Phase 1
0.6192 Remote Similarity NPD6568 Discontinued
0.619 Remote Similarity NPD4004 Approved
0.619 Remote Similarity NPD4002 Approved
0.619 Remote Similarity NPD6668 Clinical (unspecified phase)
0.619 Remote Similarity NPD4946 Phase 2
0.619 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6186 Remote Similarity NPD7178 Clinical (unspecified phase)
0.6185 Remote Similarity NPD4846 Phase 2
0.6183 Remote Similarity NPD7556 Discontinued
0.6182 Remote Similarity NPD7190 Clinical (unspecified phase)
0.618 Remote Similarity NPD7584 Approved
0.6179 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6179 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6178 Remote Similarity NPD5587 Approved
0.6174 Remote Similarity NPD3416 Discontinued
0.6164 Remote Similarity NPD6878 Phase 2
0.6164 Remote Similarity NPD6879 Phase 2
0.6161 Remote Similarity NPD4259 Approved
0.6161 Remote Similarity NPD7318 Phase 3
0.6161 Remote Similarity NPD4258 Approved
0.6154 Remote Similarity NPD2968 Approved
0.6154 Remote Similarity NPD2971 Approved
0.6154 Remote Similarity NPD7391 Discontinued
0.6151 Remote Similarity NPD6716 Phase 1
0.6151 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6147 Remote Similarity NPD7627 Approved
0.6147 Remote Similarity NPD7626 Approved
0.6144 Remote Similarity NPD1945 Phase 1
0.6143 Remote Similarity NPD4951 Discontinued
0.6143 Remote Similarity NPD4434 Approved
0.614 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6138 Remote Similarity NPD4952 Phase 3
0.6137 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6136 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6133 Remote Similarity NPD6525 Clinical (unspecified phase)
0.613 Remote Similarity NPD2339 Phase 3
0.6126 Remote Similarity NPD6851 Approved
0.6126 Remote Similarity NPD6853 Approved
0.6126 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6125 Remote Similarity NPD6198 Phase 1
0.6124 Remote Similarity NPD6502 Phase 2
0.6121 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6119 Remote Similarity NPD5484 Approved
0.6119 Remote Similarity NPD5485 Approved
0.6117 Remote Similarity NPD2335 Discontinued
0.6116 Remote Similarity NPD4435 Approved
0.6116 Remote Similarity NPD7291 Discontinued
0.6116 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6116 Remote Similarity NPD8025 Phase 2
0.6114 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6114 Remote Similarity NPD5294 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10647785
ChEMBL   CHEMBL511731
ZINC  

Physicochemical Properties

Molecular Weight:  463.21
ALogP:  -0.419
MLogP:  3.44
XLogP:  1.939
# Rotatable Bonds:  7
Polar Surface Area:  114.95
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  34

Download Data

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Biological Activities  
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