Natural Product: NPC307411

Natural Product ID:  NPC307411
Common Name:   Crassocolide C
IUPAC Name:   [(3aR,5S,6R,9E,13E,15aS)-6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl] acetate
Synonyms:   Crassocolide C
Molecular Formula:   C22H32O5
Standard InCHIKey:  MYSVBLKFHOXPIV-GFYKMQRRSA-N
Standard InCHI:  InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19-18(16(3)21(24)27-19)13-20(26-17(4)23)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10+,15-9+/t18-,19+,20+,22-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@H]2[C@H](C/C(=C/CC/C(=C/CC[C@@]1(C)O)/C)/C)OC(=O)C2=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
NPO15037 Echinops spinosissimus Species Asteraceae Eukaryota UNPD*
NPO14909 Artemisia caerulescens Species Asteraceae Eukaryota UNPD*
NPO13417 Campanula medium Species Campanulaceae Eukaryota UNPD*
NPO5127 Cladocroce incurvata Species Chalinidae Eukaryota UNPD*
NPO11762 Agrimonia eupatoria Species Rosaceae Eukaryota UNPD*
NPO9909 Sarcophyton crassocaule Species Alcyoniidae Eukaryota UNPD*
NPO26988 Acinos thymoides NA NA NA UNPD*
NPO13931 Selaginella uncinata Species Selaginellaceae Eukaryota UNPD*
NPO14434 Alluaudia humbertii Species Didiereaceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO639 Formica polyctena Species Formicidae Eukaryota UNPD*
NPO1655 Corydendrium parasiticum Species Oceaniidae Eukaryota UNPD*
NPO73 Pseudanabaena persicina Species Pseudanabaenaceae Bacteria UNPD*
NPO13036 Culicinomyces clavisporus Species Clavicipitaceae Eukaryota UNPD*
NPO6809 Cailliea cinerea NA NA NA UNPD*
NPO21926 Pseudomonas aeruginosa Species Pseudomonadaceae Bacteria UNPD*
NPO15879 Euphorbia nivulia Species Euphorbiaceae Eukaryota UNPD*
NPO16740 Helipterum venustum Species Asteraceae Eukaryota UNPD*
NPO15428 Cheilanthes tenuifolia Species Pteridaceae Eukaryota UNPD*
NPO5719 Hedyotis lawsoniae Species Rubiaceae Eukaryota UNPD*
NPO9314 Gouania ulmifolia Species Gobiesocidae Eukaryota UNPD*
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota UNPD*
NPO11365 Lecidea lithophila Species Lecideaceae Eukaryota UNPD*
NPO15674 Acanthosyris spinescens Species Cervantesiaceae Eukaryota UNPD*
NPO16774 Hermidium alipes NA NA NA UNPD*
NPO16560 Palhinhaea cernua Species Lycopodiaceae Eukaryota UNPD*
NPO12764 Tillandsia fragrans Species Bromeliaceae Eukaryota UNPD*
NPO25278 Cystofilobasidium infirmominiatum Species Cystofilobasidiaceae Eukaryota UNPD*
NPO12217 Buccinum undatum Species Buccinidae Eukaryota UNPD*
NPO10877 Humboldtia laurifolia Species Fabaceae Eukaryota UNPD*
NPO20404.1 Eruca vesicaria subsp. sativa Subspecies Brassicaceae Eukaryota UNPD*
NPO12451 Dermocybe cinnabarina Species Cortinariaceae Eukaryota UNPD*
NPO13577 Pieris formosa Species Ericaceae Eukaryota UNPD*
NPO16534 Pterocaulon alopecuroides Species Asteraceae Eukaryota UNPD*
NPO15773 Ecteinascidia thurstoni Species Perophoridae Eukaryota UNPD*
NPO16617 Paepalanthus hilairei Species Eriocaulaceae Eukaryota UNPD*
NPO15983 Udotea cyathiformis Species Udoteaceae Eukaryota UNPD*
NPO7023 Tetracera rosiflora Species Dilleniaceae Eukaryota UNPD*
NPO13733 Saccharopolyspora erythraea Species Pseudonocardiaceae Bacteria UNPD*
NPO16453 Lycium cestroides Species Solanaceae Eukaryota UNPD*
NPO10443 Sloanea zuliaensis Species Elaeocarpaceae Eukaryota UNPD*
NPO16301 Ilex macropoda Species Aquifoliaceae Eukaryota UNPD*
NPO16206 Umbilicaria indica Species Umbilicariaceae Eukaryota UNPD*
NPO14107 Teucrium montanum Species Lamiaceae Eukaryota UNPD*
NPO13264 Alstonia lanceolifera Species Apocynaceae Eukaryota UNPD*
NPO14591 Rhabdodendron amazonicum Species Rhabdodendraceae Eukaryota UNPD*
NPO2584 Monostroma fuscum Species Monostromataceae Eukaryota UNPD*
NPO16101 Gleditsia triacanthos Species Fabaceae Eukaryota UNPD*
NPO26508 Uvariopsis tripetala Species Annonaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 30 ug/ml 17125220
NPT83 Cell Line MCF7 Homo sapiens IC50 > 30 ug/ml 17125220
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 30 ug/ml 17125220
NPT81 Cell Line A549 Homo sapiens IC50 > 30 ug/ml 17125220

  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 NPC307411 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
0.9881 High Similarity NPC51004
0.9765 High Similarity NPC30515
0.9765 High Similarity NPC184463
0.9651 High Similarity NPC476300
0.9643 High Similarity NPC202672
0.9535 High Similarity NPC12172
0.9535 High Similarity NPC208886
0.9432 High Similarity NPC36954
0.9425 High Similarity NPC475912
0.9425 High Similarity NPC179746
0.9425 High Similarity NPC212486
0.9425 High Similarity NPC81419
0.9419 High Similarity NPC476004
0.9419 High Similarity NPC474761
0.9318 High Similarity NPC81386
0.9318 High Similarity NPC474035
0.9213 High Similarity NPC270013
0.9213 High Similarity NPC14961
0.9186 High Similarity NPC58219
0.9186 High Similarity NPC177629
0.9111 High Similarity NPC476315
0.908 High Similarity NPC92974
0.907 High Similarity NPC231889
0.907 High Similarity NPC186148
0.907 High Similarity NPC248602
0.9059 High Similarity NPC149725
0.9059 High Similarity NPC47958
0.9059 High Similarity NPC304509
0.9048 High Similarity NPC11620
0.8977 High Similarity NPC475748
0.8953 High Similarity NPC475019
0.8953 High Similarity NPC474762
0.8953 High Similarity NPC476015
0.8953 High Similarity NPC474949
0.8941 High Similarity NPC474780
0.8864 High Similarity NPC151770
0.8864 High Similarity NPC474032
0.8837 High Similarity NPC329749
0.8837 High Similarity NPC137033
0.8837 High Similarity NPC21469
0.8824 High Similarity NPC272814
0.8791 High Similarity NPC475659
0.8764 High Similarity NPC473619
0.875 High Similarity NPC281516
0.875 High Similarity NPC227379
0.875 High Similarity NPC153805
0.875 High Similarity NPC474471
0.8723 High Similarity NPC476270
0.8723 High Similarity NPC47880
0.8721 High Similarity NPC151176
0.8721 High Similarity NPC9868
0.8721 High Similarity NPC3464
0.8721 High Similarity NPC475963
0.871 High Similarity NPC473326
0.8696 High Similarity NPC473859
0.8681 High Similarity NPC303942
0.8681 High Similarity NPC71589
0.8681 High Similarity NPC57405
0.8667 High Similarity NPC470373
0.8667 High Similarity NPC470379
0.8667 High Similarity NPC473321
0.8652 High Similarity NPC295312
0.8652 High Similarity NPC474951
0.8632 High Similarity NPC474747
0.8632 High Similarity NPC149371
0.8617 High Similarity NPC288876
0.8605 High Similarity NPC250315
0.8587 High Similarity NPC475900
0.8571 High Similarity NPC162205
0.8571 High Similarity NPC295204
0.8571 High Similarity NPC288240
0.8571 High Similarity NPC273579
0.8542 High Similarity NPC475945
0.8542 High Similarity NPC475871
0.8539 High Similarity NPC473715
0.8526 High Similarity NPC474742
0.8526 High Similarity NPC15993
0.8523 High Similarity NPC164393
0.8523 High Similarity NPC112685
0.8523 High Similarity NPC284902
0.8511 High Similarity NPC471144
0.8511 High Similarity NPC474213
0.8511 High Similarity NPC187268
0.8506 High Similarity NPC72464
0.8495 Intermediate Similarity NPC158416
0.8495 Intermediate Similarity NPC470883
0.8495 Intermediate Similarity NPC31645
0.8495 Intermediate Similarity NPC39859
0.8495 Intermediate Similarity NPC279621
0.8495 Intermediate Similarity NPC76862
0.8478 Intermediate Similarity NPC190294
0.8478 Intermediate Similarity NPC473330
0.8478 Intermediate Similarity NPC473316
0.8471 Intermediate Similarity NPC233377
0.8471 Intermediate Similarity NPC474981
0.8462 Intermediate Similarity NPC133698
0.8462 Intermediate Similarity NPC70251
0.8462 Intermediate Similarity NPC475881
0.8454 Intermediate Similarity NPC100487
0.8454 Intermediate Similarity NPC474741
0.8444 Intermediate Similarity NPC166919
0.8444 Intermediate Similarity NPC477011
0.8444 Intermediate Similarity NPC173926
0.8438 Intermediate Similarity NPC320019
0.8438 Intermediate Similarity NPC324017
0.8427 Intermediate Similarity NPC190753
0.8427 Intermediate Similarity NPC5130
0.8427 Intermediate Similarity NPC475703
0.8427 Intermediate Similarity NPC179659
0.8427 Intermediate Similarity NPC160138
0.8409 Intermediate Similarity NPC319795
0.8409 Intermediate Similarity NPC50362
0.8409 Intermediate Similarity NPC38468
0.8404 Intermediate Similarity NPC40812
0.8404 Intermediate Similarity NPC328562
0.8404 Intermediate Similarity NPC323421
0.8391 Intermediate Similarity NPC257358
0.8391 Intermediate Similarity NPC170286
0.8391 Intermediate Similarity NPC474472
0.8387 Intermediate Similarity NPC471142
0.8387 Intermediate Similarity NPC471141
0.8387 Intermediate Similarity NPC107476
0.837 Intermediate Similarity NPC125674
0.837 Intermediate Similarity NPC475838
0.837 Intermediate Similarity NPC228451
0.837 Intermediate Similarity NPC135776
0.8367 Intermediate Similarity NPC243998
0.8367 Intermediate Similarity NPC223450
0.8352 Intermediate Similarity NPC179394
0.8352 Intermediate Similarity NPC206614
0.8352 Intermediate Similarity NPC144133
0.8352 Intermediate Similarity NPC475855
0.8352 Intermediate Similarity NPC474323
0.8352 Intermediate Similarity NPC469718
0.8352 Intermediate Similarity NPC329857
0.8352 Intermediate Similarity NPC473448
0.8351 Intermediate Similarity NPC472755
0.8351 Intermediate Similarity NPC475873
0.8333 Intermediate Similarity NPC472753
0.8333 Intermediate Similarity NPC474339
0.8333 Intermediate Similarity NPC164598
0.8333 Intermediate Similarity NPC473332
0.8316 Intermediate Similarity NPC83895
0.8316 Intermediate Similarity NPC187761
0.8315 Intermediate Similarity NPC240695
0.8315 Intermediate Similarity NPC114694
0.8315 Intermediate Similarity NPC50637
0.8315 Intermediate Similarity NPC142117
0.8315 Intermediate Similarity NPC62118
0.8315 Intermediate Similarity NPC470242
0.8315 Intermediate Similarity NPC107717
0.8315 Intermediate Similarity NPC171174
0.8315 Intermediate Similarity NPC231096
0.8315 Intermediate Similarity NPC475581
0.8315 Intermediate Similarity NPC232555
0.8298 Intermediate Similarity NPC476009
0.8298 Intermediate Similarity NPC477921
0.8295 Intermediate Similarity NPC70424
0.8295 Intermediate Similarity NPC243618
0.8295 Intermediate Similarity NPC474776
0.8283 Intermediate Similarity NPC477513
0.828 Intermediate Similarity NPC471147
0.828 Intermediate Similarity NPC474247
0.828 Intermediate Similarity NPC474338
0.828 Intermediate Similarity NPC198853
0.828 Intermediate Similarity NPC477131
0.8265 Intermediate Similarity NPC203659
0.8261 Intermediate Similarity NPC20713
0.8261 Intermediate Similarity NPC131209
0.8261 Intermediate Similarity NPC329952
0.8247 Intermediate Similarity NPC225353
0.8247 Intermediate Similarity NPC472754
0.8247 Intermediate Similarity NPC86077
0.8247 Intermediate Similarity NPC471148
0.8242 Intermediate Similarity NPC473564
0.8229 Intermediate Similarity NPC475949
0.8222 Intermediate Similarity NPC474765
0.8222 Intermediate Similarity NPC118601
0.8211 Intermediate Similarity NPC471150
0.8202 Intermediate Similarity NPC1083
0.8202 Intermediate Similarity NPC223871
0.8202 Intermediate Similarity NPC82795
0.8202 Intermediate Similarity NPC255307
0.8202 Intermediate Similarity NPC66346
0.8202 Intermediate Similarity NPC473478
0.8202 Intermediate Similarity NPC107986
0.8202 Intermediate Similarity NPC197903
0.8202 Intermediate Similarity NPC100921
0.8202 Intermediate Similarity NPC215364
0.8202 Intermediate Similarity NPC473669
0.8202 Intermediate Similarity NPC231009
0.8202 Intermediate Similarity NPC99395
0.8202 Intermediate Similarity NPC103284
0.8202 Intermediate Similarity NPC477018
0.8202 Intermediate Similarity NPC283085
0.8202 Intermediate Similarity NPC286338
0.8202 Intermediate Similarity NPC132496
0.8202 Intermediate Similarity NPC110710
0.8202 Intermediate Similarity NPC473651
0.8191 Intermediate Similarity NPC474947

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307411 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
0.8409 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.8152 Intermediate Similarity NPD6698 Approved
0.8152 Intermediate Similarity NPD46 Approved
0.81 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD7983 Approved
0.7766 Intermediate Similarity NPD7838 Discovery
0.7692 Intermediate Similarity NPD6371 Approved
0.766 Intermediate Similarity NPD1695 Approved
0.7629 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6686 Approved
0.7097 Intermediate Similarity NPD6435 Approved
0.7087 Intermediate Similarity NPD5344 Discontinued
0.7071 Intermediate Similarity NPD5778 Approved
0.7071 Intermediate Similarity NPD5779 Approved
0.7064 Intermediate Similarity NPD6053 Discontinued
0.7059 Intermediate Similarity NPD4225 Approved
0.7041 Intermediate Similarity NPD5785 Approved
0.7021 Intermediate Similarity NPD7154 Phase 3
0.7018 Intermediate Similarity NPD8517 Approved
0.7018 Intermediate Similarity NPD8515 Approved
0.7018 Intermediate Similarity NPD8513 Phase 3
0.7018 Intermediate Similarity NPD8516 Approved
0.7 Intermediate Similarity NPD5282 Discontinued
0.6989 Remote Similarity NPD5369 Approved
0.6979 Remote Similarity NPD5786 Approved
0.6907 Remote Similarity NPD4250 Approved
0.6907 Remote Similarity NPD4251 Approved
0.6882 Remote Similarity NPD5368 Approved
0.6875 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5363 Approved
0.6842 Remote Similarity NPD5362 Discontinued
0.6827 Remote Similarity NPD6648 Approved
0.6804 Remote Similarity NPD4249 Approved
0.6768 Remote Similarity NPD6101 Approved
0.6768 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4270 Approved
0.6737 Remote Similarity NPD4269 Approved
0.6737 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6399 Phase 3
0.6731 Remote Similarity NPD7638 Approved
0.6723 Remote Similarity NPD8074 Phase 3
0.6702 Remote Similarity NPD4820 Approved
0.6702 Remote Similarity NPD4821 Approved
0.6702 Remote Similarity NPD4819 Approved
0.6702 Remote Similarity NPD4822 Approved
0.6702 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6701 Remote Similarity NPD1694 Approved
0.6699 Remote Similarity NPD7839 Suspended
0.6697 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD7115 Discovery
0.6639 Remote Similarity NPD7507 Approved
0.6636 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6634 Remote Similarity NPD6411 Approved
0.661 Remote Similarity NPD7642 Approved
0.6609 Remote Similarity NPD7641 Discontinued
0.6577 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7331 Phase 2
0.6526 Remote Similarity NPD4252 Approved
0.6508 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6504 Remote Similarity NPD7260 Phase 2
0.65 Remote Similarity NPD8451 Approved
0.6496 Remote Similarity NPD6319 Approved
0.6495 Remote Similarity NPD6110 Phase 1
0.6489 Remote Similarity NPD4268 Approved
0.6489 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6489 Remote Similarity NPD4271 Approved
0.6475 Remote Similarity NPD7319 Approved
0.6471 Remote Similarity NPD7830 Approved
0.6471 Remote Similarity NPD7829 Approved
0.6465 Remote Similarity NPD6422 Discontinued
0.646 Remote Similarity NPD8297 Approved
0.6455 Remote Similarity NPD6412 Phase 2
0.6446 Remote Similarity NPD8448 Approved
0.6437 Remote Similarity NPD7341 Phase 2
0.6437 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6417 Remote Similarity NPD7492 Approved
0.6396 Remote Similarity NPD6881 Approved
0.6396 Remote Similarity NPD6899 Approved
0.6392 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6009 Approved
0.6372 Remote Similarity NPD6650 Approved
0.6372 Remote Similarity NPD6649 Approved
0.6364 Remote Similarity NPD5739 Approved
0.6364 Remote Similarity NPD6675 Approved
0.6364 Remote Similarity NPD6616 Approved
0.6364 Remote Similarity NPD7128 Approved
0.6364 Remote Similarity NPD6402 Approved
0.6356 Remote Similarity NPD6054 Approved
0.6344 Remote Similarity NPD8039 Approved
0.6339 Remote Similarity NPD6373 Approved
0.6339 Remote Similarity NPD6372 Approved
0.6333 Remote Similarity NPD7604 Phase 2
0.6327 Remote Similarity NPD5332 Approved
0.6327 Remote Similarity NPD5331 Approved
0.6322 Remote Similarity NPD3197 Phase 1
0.6321 Remote Similarity NPD7902 Approved
0.632 Remote Similarity NPD6845 Suspended
0.6311 Remote Similarity NPD7078 Approved
0.6306 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6306 Remote Similarity NPD5697 Approved
0.6303 Remote Similarity NPD5983 Phase 2
0.6303 Remote Similarity NPD8444 Approved
0.6292 Remote Similarity NPD4247 Clinical (unspecified phase)
0.629 Remote Similarity NPD8390 Approved
0.629 Remote Similarity NPD8392 Approved
0.629 Remote Similarity NPD8391 Approved
0.6289 Remote Similarity NPD4790 Discontinued
0.6283 Remote Similarity NPD6883 Approved
0.6283 Remote Similarity NPD7290 Approved
0.6283 Remote Similarity NPD7102 Approved
0.6281 Remote Similarity NPD8341 Approved
0.6281 Remote Similarity NPD8340 Approved
0.6281 Remote Similarity NPD8299 Approved
0.6281 Remote Similarity NPD8342 Approved
0.6261 Remote Similarity NPD8133 Approved
0.626 Remote Similarity NPD7736 Approved
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD7320 Approved
0.625 Remote Similarity NPD6370 Approved
0.6239 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6238 Remote Similarity NPD7524 Approved
0.623 Remote Similarity NPD6336 Discontinued
0.623 Remote Similarity NPD8273 Phase 1
0.6228 Remote Similarity NPD8130 Phase 1
0.6228 Remote Similarity NPD6617 Approved
0.6228 Remote Similarity NPD2204 Approved
0.6228 Remote Similarity NPD6869 Approved
0.6228 Remote Similarity NPD6847 Approved
0.6224 Remote Similarity NPD5209 Approved
0.6218 Remote Similarity NPD6059 Approved
0.6198 Remote Similarity NPD8328 Phase 3
0.6195 Remote Similarity NPD6014 Approved
0.6195 Remote Similarity NPD6013 Approved
0.6195 Remote Similarity NPD6012 Approved
0.619 Remote Similarity NPD7748 Approved
0.6179 Remote Similarity NPD8293 Discontinued
0.6174 Remote Similarity NPD6882 Approved
0.6168 Remote Similarity NPD6084 Phase 2
0.6168 Remote Similarity NPD6083 Phase 2
0.6167 Remote Similarity NPD6015 Approved
0.6167 Remote Similarity NPD6016 Approved
0.6161 Remote Similarity NPD5701 Approved
0.6154 Remote Similarity NPD7637 Suspended
0.6139 Remote Similarity NPD7521 Approved
0.6139 Remote Similarity NPD5330 Approved
0.6139 Remote Similarity NPD6684 Approved
0.6139 Remote Similarity NPD7146 Approved
0.6139 Remote Similarity NPD6409 Approved
0.6139 Remote Similarity NPD7334 Approved
0.6136 Remote Similarity NPD7909 Approved
0.6132 Remote Similarity NPD5695 Phase 3
0.6117 Remote Similarity NPD5370 Suspended
0.6116 Remote Similarity NPD8080 Discontinued
0.6116 Remote Similarity NPD5988 Approved
0.6111 Remote Similarity NPD5696 Approved
0.6102 Remote Similarity NPD7500 Approved
0.6102 Remote Similarity NPD8295 Clinical (unspecified phase)
0.61 Remote Similarity NPD7338 Clinical (unspecified phase)
0.61 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6091 Remote Similarity NPD7632 Discontinued
0.6087 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6053 Remote Similarity NPD8132 Clinical (unspecified phase)
0.605 Remote Similarity NPD7328 Approved
0.605 Remote Similarity NPD7327 Approved
0.6042 Remote Similarity NPD4756 Discovery
0.6038 Remote Similarity NPD7900 Approved
0.6038 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6033 Remote Similarity NPD7503 Approved
0.6033 Remote Similarity NPD8268 Approved
0.6033 Remote Similarity NPD8269 Approved
0.6033 Remote Similarity NPD8033 Approved
0.6033 Remote Similarity NPD6921 Approved
0.6033 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6033 Remote Similarity NPD8266 Approved
0.6033 Remote Similarity NPD8267 Approved
0.6019 Remote Similarity NPD6903 Approved
0.6019 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5737 Approved
0.6019 Remote Similarity NPD6672 Approved
0.6 Remote Similarity NPD6079 Approved
0.6 Remote Similarity NPD7516 Approved
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD8034 Phase 2
0.6 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6 Remote Similarity NPD6421 Discontinued
0.6 Remote Similarity NPD6695 Phase 3
0.6 Remote Similarity NPD7515 Phase 2
0.6 Remote Similarity NPD5284 Approved
0.6 Remote Similarity NPD5693 Phase 1
0.6 Remote Similarity NPD8035 Phase 2
0.6 Remote Similarity NPD5281 Approved
0.5981 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5962 Remote Similarity NPD5328 Approved
0.595 Remote Similarity NPD8294 Approved

Structure

External Identifiers

PubChem CID   11995174
ChEMBL   CHEMBL462999
ZINC  

Physicochemical Properties

Molecular Weight:  376.22
ALogP:  2.6026
MLogP:  3.33
XLogP:  3.571
# Rotatable Bonds:  7
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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