Natural Product: NPC141350

Natural Product ID:  NPC141350
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C19H26O7
Standard InCHIKey:  NEWKLHOVKBSDRY-WWMCTFGTSA-N
Standard InCHI:  InChI=1S/C19H26O7/c1-6-5-8(20)15(23)18(3)9(6)11(21)16(24)19(4)10-7(2)13(26-17(10)25)12(22)14(18)19/h5,7-15,20-23H,1-4H3/t7-,8+,9-,10-,11-,12+,13-,14-,15-,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)[C@@H]2O)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
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO8220 Russula sardonia Species Russulaceae 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 = 65000 nM 19919052

  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 NPC141350 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 NPC230541
0.951 High Similarity NPC154608
0.951 High Similarity NPC192813
0.951 High Similarity NPC277017
0.9412 High Similarity NPC144854
0.9412 High Similarity NPC3316
0.9314 High Similarity NPC102352
0.9252 High Similarity NPC179626
0.9238 High Similarity NPC188738
0.9159 High Similarity NPC117712
0.9151 High Similarity NPC472002
0.9151 High Similarity NPC302146
0.9143 High Similarity NPC210005
0.9074 High Similarity NPC474734
0.9065 High Similarity NPC51978
0.9048 High Similarity NPC143706
0.9048 High Similarity NPC472534
0.8991 High Similarity NPC470775
0.8991 High Similarity NPC176513
0.8981 High Similarity NPC470919
0.8981 High Similarity NPC469877
0.8942 High Similarity NPC181357
0.8909 High Similarity NPC470776
0.8899 High Similarity NPC478216
0.8899 High Similarity NPC259306
0.8899 High Similarity NPC207217
0.8899 High Similarity NPC470628
0.8899 High Similarity NPC474046
0.8889 High Similarity NPC49451
0.8879 High Similarity NPC201992
0.8846 High Similarity NPC258532
0.8818 High Similarity NPC473590
0.8796 High Similarity NPC11252
0.8796 High Similarity NPC289312
0.8796 High Similarity NPC474516
0.8774 High Similarity NPC293850
0.8739 High Similarity NPC251310
0.8727 High Similarity NPC328374
0.8727 High Similarity NPC96312
0.8727 High Similarity NPC251236
0.8727 High Similarity NPC40632
0.8713 High Similarity NPC256227
0.8661 High Similarity NPC475775
0.8661 High Similarity NPC476529
0.8649 High Similarity NPC470854
0.8649 High Similarity NPC287343
0.8649 High Similarity NPC122033
0.8649 High Similarity NPC474654
0.8649 High Similarity NPC97908
0.8636 High Similarity NPC18547
0.8636 High Similarity NPC473798
0.8636 High Similarity NPC474906
0.8611 High Similarity NPC5103
0.8611 High Similarity NPC286880
0.8596 High Similarity NPC222688
0.8584 High Similarity NPC112038
0.8584 High Similarity NPC109973
0.8584 High Similarity NPC109607
0.8584 High Similarity NPC107338
0.8571 High Similarity NPC17772
0.8559 High Similarity NPC49492
0.8559 High Similarity NPC235539
0.8559 High Similarity NPC152199
0.8559 High Similarity NPC266728
0.8559 High Similarity NPC134869
0.8558 High Similarity NPC81530
0.8545 High Similarity NPC962
0.8545 High Similarity NPC250109
0.8532 High Similarity NPC100329
0.8532 High Similarity NPC97939
0.8532 High Similarity NPC132790
0.8532 High Similarity NPC247031
0.8522 High Similarity NPC67251
0.8496 Intermediate Similarity NPC475041
0.8482 Intermediate Similarity NPC473968
0.8476 Intermediate Similarity NPC136289
0.8455 Intermediate Similarity NPC269530
0.8455 Intermediate Similarity NPC280782
0.8448 Intermediate Similarity NPC476729
0.8448 Intermediate Similarity NPC24651
0.8448 Intermediate Similarity NPC470922
0.844 Intermediate Similarity NPC478211
0.8435 Intermediate Similarity NPC312833
0.8431 Intermediate Similarity NPC53565
0.8426 Intermediate Similarity NPC189075
0.8426 Intermediate Similarity NPC275539
0.8426 Intermediate Similarity NPC19412
0.8411 Intermediate Similarity NPC127609
0.8411 Intermediate Similarity NPC469607
0.8407 Intermediate Similarity NPC204552
0.8407 Intermediate Similarity NPC297179
0.8407 Intermediate Similarity NPC188667
0.8396 Intermediate Similarity NPC275583
0.8381 Intermediate Similarity NPC97435
0.8378 Intermediate Similarity NPC469463
0.8378 Intermediate Similarity NPC469454
0.8378 Intermediate Similarity NPC7921
0.8378 Intermediate Similarity NPC208998
0.8378 Intermediate Similarity NPC469496
0.8378 Intermediate Similarity NPC475966
0.8364 Intermediate Similarity NPC475480
0.8364 Intermediate Similarity NPC179798
0.8364 Intermediate Similarity NPC475668
0.8364 Intermediate Similarity NPC469655
0.8364 Intermediate Similarity NPC469656
0.8364 Intermediate Similarity NPC473921
0.8364 Intermediate Similarity NPC304180
0.8364 Intermediate Similarity NPC171888
0.8364 Intermediate Similarity NPC146945
0.8364 Intermediate Similarity NPC474846
0.8364 Intermediate Similarity NPC157476
0.8362 Intermediate Similarity NPC105926
0.8362 Intermediate Similarity NPC91693
0.8362 Intermediate Similarity NPC265557
0.8362 Intermediate Similarity NPC18945
0.8349 Intermediate Similarity NPC478210
0.8349 Intermediate Similarity NPC27814
0.8349 Intermediate Similarity NPC153239
0.8348 Intermediate Similarity NPC102822
0.8348 Intermediate Similarity NPC477046
0.8333 Intermediate Similarity NPC470777
0.8333 Intermediate Similarity NPC250075
0.8333 Intermediate Similarity NPC59530
0.8333 Intermediate Similarity NPC110496
0.8333 Intermediate Similarity NPC470957
0.8333 Intermediate Similarity NPC122971
0.8333 Intermediate Similarity NPC268958
0.8333 Intermediate Similarity NPC470958
0.8319 Intermediate Similarity NPC53396
0.8319 Intermediate Similarity NPC469684
0.8319 Intermediate Similarity NPC284068
0.8319 Intermediate Similarity NPC27999
0.8319 Intermediate Similarity NPC98249
0.8319 Intermediate Similarity NPC477116
0.8318 Intermediate Similarity NPC65523
0.8318 Intermediate Similarity NPC471293
0.8304 Intermediate Similarity NPC326542
0.8304 Intermediate Similarity NPC243354
0.8302 Intermediate Similarity NPC295791
0.8288 Intermediate Similarity NPC207251
0.8286 Intermediate Similarity NPC472972
0.8276 Intermediate Similarity NPC269642
0.8273 Intermediate Similarity NPC475563
0.8273 Intermediate Similarity NPC475134
0.8273 Intermediate Similarity NPC253906
0.8269 Intermediate Similarity NPC134454
0.8269 Intermediate Similarity NPC17326
0.8257 Intermediate Similarity NPC472218
0.8257 Intermediate Similarity NPC472219
0.8257 Intermediate Similarity NPC472217
0.8257 Intermediate Similarity NPC94529
0.8246 Intermediate Similarity NPC284707
0.8241 Intermediate Similarity NPC166607
0.8241 Intermediate Similarity NPC323834
0.8235 Intermediate Similarity NPC147272
0.8224 Intermediate Similarity NPC99266
0.8224 Intermediate Similarity NPC140723
0.8224 Intermediate Similarity NPC264048
0.822 Intermediate Similarity NPC225049
0.8218 Intermediate Similarity NPC232202
0.8214 Intermediate Similarity NPC474271
0.8214 Intermediate Similarity NPC194273
0.8214 Intermediate Similarity NPC25909
0.8214 Intermediate Similarity NPC471204
0.8214 Intermediate Similarity NPC317210
0.8214 Intermediate Similarity NPC194100
0.8214 Intermediate Similarity NPC56448
0.8198 Intermediate Similarity NPC471243
0.819 Intermediate Similarity NPC470779
0.819 Intermediate Similarity NPC23364
0.8182 Intermediate Similarity NPC87335
0.8182 Intermediate Similarity NPC310546
0.8174 Intermediate Similarity NPC469488
0.8173 Intermediate Similarity NPC11396
0.8173 Intermediate Similarity NPC21302
0.8165 Intermediate Similarity NPC301666
0.8165 Intermediate Similarity NPC187435
0.8165 Intermediate Similarity NPC293512
0.8165 Intermediate Similarity NPC220229
0.8165 Intermediate Similarity NPC67321
0.8165 Intermediate Similarity NPC475176
0.8165 Intermediate Similarity NPC475060
0.8165 Intermediate Similarity NPC202524
0.8158 Intermediate Similarity NPC309433
0.8158 Intermediate Similarity NPC58662
0.8158 Intermediate Similarity NPC470171
0.8158 Intermediate Similarity NPC156252
0.8158 Intermediate Similarity NPC471854
0.8158 Intermediate Similarity NPC13713
0.8155 Intermediate Similarity NPC196227
0.8151 Intermediate Similarity NPC470882
0.8151 Intermediate Similarity NPC470780
0.8148 Intermediate Similarity NPC29705
0.8148 Intermediate Similarity NPC284865
0.8148 Intermediate Similarity NPC470104
0.8148 Intermediate Similarity NPC160843
0.8148 Intermediate Similarity NPC475036
0.8142 Intermediate Similarity NPC323821
0.8142 Intermediate Similarity NPC45218
0.8142 Intermediate Similarity NPC268238

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC141350 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
0.8053 Intermediate Similarity NPD4632 Approved
0.7928 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD6399 Phase 3
0.7857 Intermediate Similarity NPD6372 Approved
0.7857 Intermediate Similarity NPD6373 Approved
0.7797 Intermediate Similarity NPD6319 Approved
0.7748 Intermediate Similarity NPD6402 Approved
0.7748 Intermediate Similarity NPD7128 Approved
0.7748 Intermediate Similarity NPD6008 Approved
0.7748 Intermediate Similarity NPD5739 Approved
0.7748 Intermediate Similarity NPD6675 Approved
0.7719 Intermediate Similarity NPD6649 Approved
0.7719 Intermediate Similarity NPD6650 Approved
0.7699 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7699 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6009 Approved
0.7685 Intermediate Similarity NPD4225 Approved
0.7679 Intermediate Similarity NPD5697 Approved
0.7679 Intermediate Similarity NPD5701 Approved
0.7664 Intermediate Similarity NPD4697 Phase 3
0.7652 Intermediate Similarity NPD8297 Approved
0.7632 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD7640 Approved
0.7615 Intermediate Similarity NPD7639 Approved
0.7611 Intermediate Similarity NPD6881 Approved
0.7611 Intermediate Similarity NPD6899 Approved
0.7611 Intermediate Similarity NPD7320 Approved
0.7611 Intermediate Similarity NPD6011 Approved
0.7603 Intermediate Similarity NPD8328 Phase 3
0.7593 Intermediate Similarity NPD7902 Approved
0.7583 Intermediate Similarity NPD5983 Phase 2
0.7544 Intermediate Similarity NPD6012 Approved
0.7544 Intermediate Similarity NPD6014 Approved
0.7544 Intermediate Similarity NPD6013 Approved
0.7542 Intermediate Similarity NPD7115 Discovery
0.7542 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD7492 Approved
0.7523 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD6054 Approved
0.75 Intermediate Similarity NPD6059 Approved
0.748 Intermediate Similarity NPD6616 Approved
0.7478 Intermediate Similarity NPD6883 Approved
0.7478 Intermediate Similarity NPD7290 Approved
0.7478 Intermediate Similarity NPD7102 Approved
0.7477 Intermediate Similarity NPD5211 Phase 2
0.7459 Intermediate Similarity NPD7604 Phase 2
0.7438 Intermediate Similarity NPD6015 Approved
0.7438 Intermediate Similarity NPD6016 Approved
0.7431 Intermediate Similarity NPD4755 Approved
0.7419 Intermediate Similarity NPD7078 Approved
0.7419 Intermediate Similarity NPD8293 Discontinued
0.7414 Intermediate Similarity NPD8130 Phase 1
0.7414 Intermediate Similarity NPD6617 Approved
0.7414 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD6869 Approved
0.7414 Intermediate Similarity NPD6847 Approved
0.7377 Intermediate Similarity NPD5988 Approved
0.7377 Intermediate Similarity NPD6370 Approved
0.7368 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7736 Approved
0.735 Intermediate Similarity NPD6882 Approved
0.7345 Intermediate Similarity NPD5141 Approved
0.7339 Intermediate Similarity NPD5221 Approved
0.7339 Intermediate Similarity NPD6336 Discontinued
0.7339 Intermediate Similarity NPD5222 Approved
0.7339 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD4634 Approved
0.7315 Intermediate Similarity NPD7748 Approved
0.7315 Intermediate Similarity NPD7900 Approved
0.7315 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD3618 Phase 1
0.7304 Intermediate Similarity NPD6686 Approved
0.7297 Intermediate Similarity NPD4700 Approved
0.7297 Intermediate Similarity NPD5285 Approved
0.7297 Intermediate Similarity NPD4696 Approved
0.7297 Intermediate Similarity NPD5286 Approved
0.729 Intermediate Similarity NPD7515 Phase 2
0.7273 Intermediate Similarity NPD5173 Approved
0.7264 Intermediate Similarity NPD5328 Approved
0.7255 Intermediate Similarity NPD3667 Approved
0.7232 Intermediate Similarity NPD5223 Approved
0.7222 Intermediate Similarity NPD5778 Approved
0.7222 Intermediate Similarity NPD5779 Approved
0.7217 Intermediate Similarity NPD6412 Phase 2
0.72 Intermediate Similarity NPD7507 Approved
0.7168 Intermediate Similarity NPD4633 Approved
0.7168 Intermediate Similarity NPD5224 Approved
0.7168 Intermediate Similarity NPD5225 Approved
0.7168 Intermediate Similarity NPD5226 Approved
0.7167 Intermediate Similarity NPD6274 Approved
0.7154 Intermediate Similarity NPD6921 Approved
0.7154 Intermediate Similarity NPD8515 Approved
0.7154 Intermediate Similarity NPD8516 Approved
0.7154 Intermediate Similarity NPD8517 Approved
0.7154 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD8513 Phase 3
0.713 Intermediate Similarity NPD8034 Phase 2
0.713 Intermediate Similarity NPD8035 Phase 2
0.713 Intermediate Similarity NPD6079 Approved
0.7117 Intermediate Similarity NPD6083 Phase 2
0.7117 Intermediate Similarity NPD6084 Phase 2
0.7115 Intermediate Similarity NPD4786 Approved
0.7107 Intermediate Similarity NPD6317 Approved
0.7105 Intermediate Similarity NPD5174 Approved
0.7105 Intermediate Similarity NPD5175 Approved
0.7105 Intermediate Similarity NPD4754 Approved
0.7087 Intermediate Similarity NPD6033 Approved
0.7054 Intermediate Similarity NPD5696 Approved
0.7049 Intermediate Similarity NPD6313 Approved
0.7049 Intermediate Similarity NPD6314 Approved
0.7049 Intermediate Similarity NPD6335 Approved
0.7031 Intermediate Similarity NPD7319 Approved
0.7025 Intermediate Similarity NPD6868 Approved
0.7018 Intermediate Similarity NPD7632 Discontinued
0.7009 Intermediate Similarity NPD6672 Approved
0.7009 Intermediate Similarity NPD5737 Approved
0.6992 Remote Similarity NPD7100 Approved
0.6992 Remote Similarity NPD7101 Approved
0.6983 Remote Similarity NPD4768 Approved
0.6983 Remote Similarity NPD4767 Approved
0.6975 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7983 Approved
0.6972 Remote Similarity NPD6411 Approved
0.6937 Remote Similarity NPD5695 Phase 3
0.6923 Remote Similarity NPD7260 Phase 2
0.6916 Remote Similarity NPD3573 Approved
0.6909 Remote Similarity NPD4202 Approved
0.6887 Remote Similarity NPD1694 Approved
0.688 Remote Similarity NPD6908 Approved
0.688 Remote Similarity NPD6909 Approved
0.6875 Remote Similarity NPD8074 Phase 3
0.6864 Remote Similarity NPD5128 Approved
0.6864 Remote Similarity NPD4729 Approved
0.6864 Remote Similarity NPD4730 Approved
0.6822 Remote Similarity NPD7334 Approved
0.6822 Remote Similarity NPD7146 Approved
0.6822 Remote Similarity NPD6409 Approved
0.6822 Remote Similarity NPD6684 Approved
0.6822 Remote Similarity NPD7521 Approved
0.6822 Remote Similarity NPD5330 Approved
0.6792 Remote Similarity NPD3665 Phase 1
0.6792 Remote Similarity NPD3668 Phase 3
0.6792 Remote Similarity NPD3133 Approved
0.6792 Remote Similarity NPD3666 Approved
0.6789 Remote Similarity NPD4753 Phase 2
0.6789 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6789 Remote Similarity NPD6101 Approved
0.6786 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6783 Remote Similarity NPD5344 Discontinued
0.6777 Remote Similarity NPD6053 Discontinued
0.6772 Remote Similarity NPD6067 Discontinued
0.675 Remote Similarity NPD5134 Clinical (unspecified phase)
0.675 Remote Similarity NPD5247 Approved
0.675 Remote Similarity NPD5251 Approved
0.675 Remote Similarity NPD5249 Phase 3
0.675 Remote Similarity NPD5135 Approved
0.675 Remote Similarity NPD5169 Approved
0.675 Remote Similarity NPD6371 Approved
0.675 Remote Similarity NPD5250 Approved
0.675 Remote Similarity NPD5248 Approved
0.6742 Remote Similarity NPD6845 Suspended
0.6731 Remote Similarity NPD4695 Discontinued
0.6729 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6727 Remote Similarity NPD46 Approved
0.6727 Remote Similarity NPD6698 Approved
0.6723 Remote Similarity NPD5168 Approved
0.6721 Remote Similarity NPD8133 Approved
0.672 Remote Similarity NPD7516 Approved
0.6698 Remote Similarity NPD6110 Phase 1
0.6697 Remote Similarity NPD6903 Approved
0.6697 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6696 Remote Similarity NPD5282 Discontinued
0.6694 Remote Similarity NPD5217 Approved
0.6694 Remote Similarity NPD5215 Approved
0.6694 Remote Similarity NPD5216 Approved
0.6694 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD5786 Approved
0.6667 Remote Similarity NPD5279 Phase 3
0.6667 Remote Similarity NPD5693 Phase 1
0.6667 Remote Similarity NPD6098 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.664 Remote Similarity NPD7327 Approved
0.664 Remote Similarity NPD7328 Approved
0.6639 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6637 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4629 Approved
0.6637 Remote Similarity NPD5210 Approved
0.6636 Remote Similarity NPD6080 Approved
0.6636 Remote Similarity NPD6904 Approved
0.6636 Remote Similarity NPD6673 Approved
0.6636 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6614 Remote Similarity NPD8033 Approved
0.6606 Remote Similarity NPD7524 Approved
0.6604 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6001 Approved
0.6535 Remote Similarity NPD8294 Approved
0.6535 Remote Similarity NPD8377 Approved
0.6532 Remote Similarity NPD5167 Approved
0.6518 Remote Similarity NPD5281 Approved
0.6518 Remote Similarity NPD5284 Approved

Structure

External Identifiers

PubChem CID   44612900
ChEMBL   CHEMBL1081238
ZINC  

Physicochemical Properties

Molecular Weight:  366.17
ALogP:  -1.3693
MLogP:  2.78
XLogP:  -0.808
# Rotatable Bonds:  8
Polar Surface Area:  124.29
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  26

Download Data

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