Natural Product: NPC230541

Natural Product ID:  NPC230541
Common Name:   Eurycolactone E
IUPAC Name:  
Synonyms:   Eurycolactone E
Molecular Formula:   C19H26O6
Standard InCHIKey:  PFEUJUXMHXWDQS-MHSWQEBQSA-N
Standard InCHI:  InChI=1S/C19H26O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-10,12-16,20,22-23H,6H2,1-4H3/t8-,9+,10+,12-,13+,14-,15-,16-,18+,19+/m1/s1
Canonical SMILES:  O[C@H]1C=C(C)[C@H]2[C@@]([C@@H]1O)(C)[C@H]1[C@@H](O)[C@@H]3OC(=O)[C@H]([C@@]1(C(=O)C2)C)[C@H]3C
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
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO8220 Russula sardonia Species Russulaceae Eukaryota UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 7300 nM 19919052
NPT2 Others Unspecified IC50 = 3800 nM 24467387
NPT2 Others Unspecified Inhibition > 50 % 24467387

  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 NPC230541 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
0.98 High Similarity NPC141350
0.95 High Similarity NPC102352
0.9417 High Similarity NPC188738
0.9333 High Similarity NPC117712
0.9327 High Similarity NPC472002
0.9314 High Similarity NPC192813
0.9314 High Similarity NPC277017
0.9314 High Similarity NPC154608
0.9223 High Similarity NPC472534
0.9223 High Similarity NPC143706
0.9216 High Similarity NPC3316
0.9216 High Similarity NPC144854
0.9065 High Similarity NPC179626
0.8962 High Similarity NPC302146
0.8952 High Similarity NPC210005
0.8889 High Similarity NPC474734
0.8889 High Similarity NPC256227
0.8879 High Similarity NPC51978
0.8807 High Similarity NPC176513
0.8807 High Similarity NPC470775
0.8796 High Similarity NPC470919
0.8796 High Similarity NPC469877
0.8774 High Similarity NPC286880
0.875 High Similarity NPC181357
0.8727 High Similarity NPC470776
0.8725 High Similarity NPC81530
0.8716 High Similarity NPC478216
0.8716 High Similarity NPC474046
0.8716 High Similarity NPC470628
0.8716 High Similarity NPC49492
0.8716 High Similarity NPC207217
0.8716 High Similarity NPC259306
0.8716 High Similarity NPC266728
0.8704 High Similarity NPC250109
0.8704 High Similarity NPC49451
0.8704 High Similarity NPC962
0.8692 High Similarity NPC97939
0.8692 High Similarity NPC100329
0.8692 High Similarity NPC201992
0.8692 High Similarity NPC132790
0.8692 High Similarity NPC247031
0.8654 High Similarity NPC258532
0.8649 High Similarity NPC475041
0.8641 High Similarity NPC136289
0.8636 High Similarity NPC473590
0.8636 High Similarity NPC473968
0.8611 High Similarity NPC11252
0.8611 High Similarity NPC289312
0.8611 High Similarity NPC269530
0.8611 High Similarity NPC474516
0.86 High Similarity NPC53565
0.8598 High Similarity NPC478211
0.8585 High Similarity NPC19412
0.8585 High Similarity NPC189075
0.8585 High Similarity NPC293850
0.8585 High Similarity NPC275539
0.8571 High Similarity NPC127609
0.8571 High Similarity NPC469607
0.8559 High Similarity NPC251310
0.8545 High Similarity NPC328374
0.8545 High Similarity NPC40632
0.8545 High Similarity NPC251236
0.8545 High Similarity NPC96312
0.8544 High Similarity NPC97435
0.8532 High Similarity NPC475966
0.8519 High Similarity NPC469656
0.8519 High Similarity NPC474846
0.8519 High Similarity NPC469655
0.8505 High Similarity NPC478210
0.8505 High Similarity NPC153239
0.85 High Similarity NPC470957
0.85 High Similarity NPC470958
0.85 High Similarity NPC250075
0.8491 Intermediate Similarity NPC59530
0.8491 Intermediate Similarity NPC110496
0.8482 Intermediate Similarity NPC476529
0.8482 Intermediate Similarity NPC475775
0.8482 Intermediate Similarity NPC122971
0.8476 Intermediate Similarity NPC471293
0.8476 Intermediate Similarity NPC65523
0.8468 Intermediate Similarity NPC97908
0.8468 Intermediate Similarity NPC98249
0.8468 Intermediate Similarity NPC470854
0.8468 Intermediate Similarity NPC122033
0.8468 Intermediate Similarity NPC53396
0.8468 Intermediate Similarity NPC474654
0.8468 Intermediate Similarity NPC469684
0.8468 Intermediate Similarity NPC284068
0.8468 Intermediate Similarity NPC287343
0.8462 Intermediate Similarity NPC295791
0.8455 Intermediate Similarity NPC474906
0.8455 Intermediate Similarity NPC326542
0.8455 Intermediate Similarity NPC473798
0.8455 Intermediate Similarity NPC243354
0.8455 Intermediate Similarity NPC18547
0.844 Intermediate Similarity NPC207251
0.8431 Intermediate Similarity NPC134454
0.8431 Intermediate Similarity NPC17326
0.8426 Intermediate Similarity NPC5103
0.8426 Intermediate Similarity NPC253906
0.8421 Intermediate Similarity NPC222688
0.8421 Intermediate Similarity NPC269642
0.8411 Intermediate Similarity NPC472217
0.8411 Intermediate Similarity NPC472219
0.8411 Intermediate Similarity NPC472218
0.8407 Intermediate Similarity NPC107338
0.8407 Intermediate Similarity NPC112038
0.8407 Intermediate Similarity NPC109973
0.8407 Intermediate Similarity NPC109607
0.84 Intermediate Similarity NPC147272
0.8396 Intermediate Similarity NPC323834
0.8393 Intermediate Similarity NPC17772
0.8393 Intermediate Similarity NPC284707
0.8384 Intermediate Similarity NPC232202
0.8381 Intermediate Similarity NPC99266
0.8381 Intermediate Similarity NPC140723
0.8381 Intermediate Similarity NPC264048
0.8378 Intermediate Similarity NPC152199
0.8378 Intermediate Similarity NPC235539
0.8378 Intermediate Similarity NPC134869
0.8364 Intermediate Similarity NPC317210
0.8364 Intermediate Similarity NPC471204
0.8364 Intermediate Similarity NPC25909
0.8364 Intermediate Similarity NPC194273
0.835 Intermediate Similarity NPC23364
0.8349 Intermediate Similarity NPC471243
0.8348 Intermediate Similarity NPC67251
0.8333 Intermediate Similarity NPC11396
0.8333 Intermediate Similarity NPC310546
0.8333 Intermediate Similarity NPC21302
0.8318 Intermediate Similarity NPC301666
0.8318 Intermediate Similarity NPC475060
0.8318 Intermediate Similarity NPC220229
0.8318 Intermediate Similarity NPC67321
0.8318 Intermediate Similarity NPC187435
0.8318 Intermediate Similarity NPC293512
0.8317 Intermediate Similarity NPC196227
0.8304 Intermediate Similarity NPC470171
0.8304 Intermediate Similarity NPC58662
0.8304 Intermediate Similarity NPC13713
0.8302 Intermediate Similarity NPC470104
0.8302 Intermediate Similarity NPC475036
0.8288 Intermediate Similarity NPC472274
0.8286 Intermediate Similarity NPC273005
0.8286 Intermediate Similarity NPC469606
0.8286 Intermediate Similarity NPC137430
0.8286 Intermediate Similarity NPC31058
0.8276 Intermediate Similarity NPC24651
0.8276 Intermediate Similarity NPC476729
0.8276 Intermediate Similarity NPC470922
0.8273 Intermediate Similarity NPC194951
0.8273 Intermediate Similarity NPC280782
0.8273 Intermediate Similarity NPC174836
0.8273 Intermediate Similarity NPC12046
0.8273 Intermediate Similarity NPC126691
0.8273 Intermediate Similarity NPC476801
0.8269 Intermediate Similarity NPC218383
0.8261 Intermediate Similarity NPC312833
0.8257 Intermediate Similarity NPC76084
0.8252 Intermediate Similarity NPC189880
0.8252 Intermediate Similarity NPC43686
0.8252 Intermediate Similarity NPC474343
0.8241 Intermediate Similarity NPC217201
0.8235 Intermediate Similarity NPC266899
0.8235 Intermediate Similarity NPC134067
0.823 Intermediate Similarity NPC204552
0.823 Intermediate Similarity NPC297179
0.823 Intermediate Similarity NPC108581
0.823 Intermediate Similarity NPC188667
0.823 Intermediate Similarity NPC478205
0.823 Intermediate Similarity NPC478206
0.8224 Intermediate Similarity NPC149047
0.8224 Intermediate Similarity NPC260268
0.8224 Intermediate Similarity NPC476027
0.8224 Intermediate Similarity NPC152695
0.8224 Intermediate Similarity NPC150531
0.8224 Intermediate Similarity NPC231530
0.8224 Intermediate Similarity NPC85829
0.8224 Intermediate Similarity NPC49958
0.8224 Intermediate Similarity NPC171137
0.8224 Intermediate Similarity NPC96377
0.8224 Intermediate Similarity NPC478208
0.8224 Intermediate Similarity NPC222833
0.8224 Intermediate Similarity NPC48733
0.8224 Intermediate Similarity NPC319077
0.8224 Intermediate Similarity NPC50692
0.8224 Intermediate Similarity NPC202167
0.8224 Intermediate Similarity NPC296945
0.8224 Intermediate Similarity NPC97202
0.8224 Intermediate Similarity NPC278628
0.8224 Intermediate Similarity NPC214264
0.8224 Intermediate Similarity NPC302607
0.8208 Intermediate Similarity NPC277074
0.8208 Intermediate Similarity NPC159442
0.8208 Intermediate Similarity NPC36688
0.8208 Intermediate Similarity NPC95899
0.8208 Intermediate Similarity NPC275583
0.8208 Intermediate Similarity NPC282233
0.8208 Intermediate Similarity NPC95585
0.8208 Intermediate Similarity NPC254202

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC230541 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
0.8039 Intermediate Similarity NPD6399 Phase 3
0.789 Intermediate Similarity NPD6008 Approved
0.7876 Intermediate Similarity NPD4632 Approved
0.7838 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD4225 Approved
0.7768 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7757 Intermediate Similarity NPD7640 Approved
0.7757 Intermediate Similarity NPD7639 Approved
0.7748 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD7902 Approved
0.7679 Intermediate Similarity NPD6373 Approved
0.7679 Intermediate Similarity NPD6372 Approved
0.7672 Intermediate Similarity NPD7115 Discovery
0.7664 Intermediate Similarity NPD7638 Approved
0.7627 Intermediate Similarity NPD6319 Approved
0.7568 Intermediate Similarity NPD6402 Approved
0.7568 Intermediate Similarity NPD7128 Approved
0.7568 Intermediate Similarity NPD5739 Approved
0.7568 Intermediate Similarity NPD6675 Approved
0.7544 Intermediate Similarity NPD6650 Approved
0.7544 Intermediate Similarity NPD6649 Approved
0.7521 Intermediate Similarity NPD6009 Approved
0.75 Intermediate Similarity NPD5701 Approved
0.75 Intermediate Similarity NPD5697 Approved
0.75 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD8297 Approved
0.7477 Intermediate Similarity NPD4697 Phase 3
0.7453 Intermediate Similarity NPD7748 Approved
0.7453 Intermediate Similarity NPD7900 Approved
0.7453 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD3618 Phase 1
0.7438 Intermediate Similarity NPD8328 Phase 3
0.7434 Intermediate Similarity NPD6686 Approved
0.7434 Intermediate Similarity NPD6881 Approved
0.7434 Intermediate Similarity NPD6011 Approved
0.7434 Intermediate Similarity NPD6899 Approved
0.7434 Intermediate Similarity NPD7320 Approved
0.7429 Intermediate Similarity NPD7515 Phase 2
0.7417 Intermediate Similarity NPD5983 Phase 2
0.7404 Intermediate Similarity NPD5328 Approved
0.74 Intermediate Similarity NPD3667 Approved
0.7377 Intermediate Similarity NPD7492 Approved
0.7373 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6012 Approved
0.7368 Intermediate Similarity NPD6013 Approved
0.7368 Intermediate Similarity NPD6014 Approved
0.7358 Intermediate Similarity NPD5778 Approved
0.7358 Intermediate Similarity NPD5779 Approved
0.7345 Intermediate Similarity NPD6412 Phase 2
0.7333 Intermediate Similarity NPD6054 Approved
0.7333 Intermediate Similarity NPD6059 Approved
0.7317 Intermediate Similarity NPD6616 Approved
0.7317 Intermediate Similarity NPD7507 Approved
0.7304 Intermediate Similarity NPD7102 Approved
0.7304 Intermediate Similarity NPD7290 Approved
0.7304 Intermediate Similarity NPD6883 Approved
0.7297 Intermediate Similarity NPD5211 Phase 2
0.7295 Intermediate Similarity NPD7604 Phase 2
0.7273 Intermediate Similarity NPD8513 Phase 3
0.7273 Intermediate Similarity NPD6015 Approved
0.7273 Intermediate Similarity NPD8515 Approved
0.7273 Intermediate Similarity NPD8517 Approved
0.7273 Intermediate Similarity NPD8516 Approved
0.7273 Intermediate Similarity NPD6016 Approved
0.7264 Intermediate Similarity NPD8034 Phase 2
0.7264 Intermediate Similarity NPD6079 Approved
0.7264 Intermediate Similarity NPD8035 Phase 2
0.7258 Intermediate Similarity NPD7078 Approved
0.7258 Intermediate Similarity NPD8293 Discontinued
0.7255 Intermediate Similarity NPD4786 Approved
0.7248 Intermediate Similarity NPD4755 Approved
0.7241 Intermediate Similarity NPD8130 Phase 1
0.7241 Intermediate Similarity NPD6847 Approved
0.7241 Intermediate Similarity NPD6617 Approved
0.7241 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6869 Approved
0.7213 Intermediate Similarity NPD6370 Approved
0.7213 Intermediate Similarity NPD5988 Approved
0.72 Intermediate Similarity NPD7736 Approved
0.7179 Intermediate Similarity NPD6882 Approved
0.7177 Intermediate Similarity NPD6336 Discontinued
0.7168 Intermediate Similarity NPD5141 Approved
0.7156 Intermediate Similarity NPD5221 Approved
0.7156 Intermediate Similarity NPD5222 Approved
0.7156 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD4634 Approved
0.7143 Intermediate Similarity NPD7319 Approved
0.7143 Intermediate Similarity NPD7632 Discontinued
0.7117 Intermediate Similarity NPD5285 Approved
0.7117 Intermediate Similarity NPD4700 Approved
0.7117 Intermediate Similarity NPD5286 Approved
0.7117 Intermediate Similarity NPD4696 Approved
0.7103 Intermediate Similarity NPD6411 Approved
0.7103 Intermediate Similarity NPD7983 Approved
0.7091 Intermediate Similarity NPD5173 Approved
0.7054 Intermediate Similarity NPD5223 Approved
0.7048 Intermediate Similarity NPD3573 Approved
0.7037 Intermediate Similarity NPD4202 Approved
0.7019 Intermediate Similarity NPD1694 Approved
0.7 Intermediate Similarity NPD6274 Approved
0.6992 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6921 Approved
0.6991 Remote Similarity NPD4633 Approved
0.6991 Remote Similarity NPD5224 Approved
0.6991 Remote Similarity NPD5225 Approved
0.6991 Remote Similarity NPD5226 Approved
0.6984 Remote Similarity NPD8074 Phase 3
0.6952 Remote Similarity NPD6409 Approved
0.6952 Remote Similarity NPD7146 Approved
0.6952 Remote Similarity NPD7521 Approved
0.6952 Remote Similarity NPD5330 Approved
0.6952 Remote Similarity NPD6684 Approved
0.6952 Remote Similarity NPD7334 Approved
0.6942 Remote Similarity NPD6317 Approved
0.6937 Remote Similarity NPD6084 Phase 2
0.6937 Remote Similarity NPD6083 Phase 2
0.693 Remote Similarity NPD5175 Approved
0.693 Remote Similarity NPD5174 Approved
0.693 Remote Similarity NPD4754 Approved
0.6929 Remote Similarity NPD6033 Approved
0.6923 Remote Similarity NPD3665 Phase 1
0.6923 Remote Similarity NPD3668 Phase 3
0.6923 Remote Similarity NPD3666 Approved
0.6923 Remote Similarity NPD3133 Approved
0.6916 Remote Similarity NPD6101 Approved
0.6916 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6909 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6903 Remote Similarity NPD5344 Discontinued
0.6891 Remote Similarity NPD6053 Discontinued
0.6885 Remote Similarity NPD6335 Approved
0.6885 Remote Similarity NPD6313 Approved
0.6885 Remote Similarity NPD6314 Approved
0.688 Remote Similarity NPD6067 Discontinued
0.6875 Remote Similarity NPD5696 Approved
0.6864 Remote Similarity NPD6371 Approved
0.686 Remote Similarity NPD6868 Approved
0.6857 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6698 Approved
0.6852 Remote Similarity NPD46 Approved
0.6833 Remote Similarity NPD8133 Approved
0.6829 Remote Similarity NPD7100 Approved
0.6829 Remote Similarity NPD7101 Approved
0.6829 Remote Similarity NPD7516 Approved
0.6822 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5737 Approved
0.6822 Remote Similarity NPD6903 Approved
0.6822 Remote Similarity NPD6672 Approved
0.681 Remote Similarity NPD4767 Approved
0.681 Remote Similarity NPD4768 Approved
0.6807 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6792 Remote Similarity NPD5786 Approved
0.6789 Remote Similarity NPD7637 Suspended
0.6769 Remote Similarity NPD7260 Phase 2
0.6757 Remote Similarity NPD5695 Phase 3
0.6757 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7327 Approved
0.6748 Remote Similarity NPD7328 Approved
0.6731 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7524 Approved
0.672 Remote Similarity NPD6909 Approved
0.672 Remote Similarity NPD6908 Approved
0.672 Remote Similarity NPD8033 Approved
0.6695 Remote Similarity NPD4730 Approved
0.6695 Remote Similarity NPD4729 Approved
0.6695 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD6001 Approved
0.664 Remote Similarity NPD8294 Approved
0.664 Remote Similarity NPD8377 Approved
0.6636 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5284 Approved
0.6636 Remote Similarity NPD4623 Approved
0.6636 Remote Similarity NPD5281 Approved
0.6636 Remote Similarity NPD4519 Discontinued
0.6606 Remote Similarity NPD4753 Phase 2
0.6591 Remote Similarity NPD6845 Suspended
0.6587 Remote Similarity NPD8379 Approved
0.6587 Remote Similarity NPD8335 Approved
0.6587 Remote Similarity NPD7503 Approved
0.6587 Remote Similarity NPD8378 Approved
0.6587 Remote Similarity NPD8296 Approved
0.6587 Remote Similarity NPD8380 Approved
0.6583 Remote Similarity NPD5247 Approved
0.6583 Remote Similarity NPD5249 Phase 3
0.6583 Remote Similarity NPD5250 Approved
0.6583 Remote Similarity NPD5251 Approved
0.6583 Remote Similarity NPD5135 Approved
0.6583 Remote Similarity NPD5169 Approved
0.6583 Remote Similarity NPD5248 Approved
0.6583 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6574 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5168 Approved
0.6538 Remote Similarity NPD7525 Registered
0.6538 Remote Similarity NPD4695 Discontinued
0.6535 Remote Similarity NPD3703 Phase 2
0.6529 Remote Similarity NPD5216 Approved
0.6529 Remote Similarity NPD5127 Approved
0.6529 Remote Similarity NPD5215 Approved
0.6529 Remote Similarity NPD5217 Approved
0.6522 Remote Similarity NPD6648 Approved

Structure

External Identifiers

PubChem CID   636592
ChEMBL   CHEMBL1079673
ZINC  

Physicochemical Properties

Molecular Weight:  350.17
ALogP:  -0.7171
MLogP:  2.89
XLogP:  -0.473
# Rotatable Bonds:  7
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  25

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Structure MOL file  
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Biological Activities  
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