Natural Product: NPC89929

Natural Product ID:  NPC89929
Common Name:   Javanicolide C
IUPAC Name:  
Synonyms:   Javanicolide C
Molecular Formula:   C26H36O11
Standard InCHIKey:  HGWAIHIPTWRNHL-QFWHAJIVSA-N
Standard InCHI:  InChI=1S/C26H36O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,11-14,16-21,27,29-31H,7-9H2,1-5H3/t11-,12-,13+,14+,16-,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Canonical SMILES:  COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)C[C@@H](O)[C@H]([C@H]2C)O
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
NPO14150 Solanum jamaicense Species Solanaceae Eukaryota UNPD*
NPO10818 Carpobrotus edulis Species Aizoaceae Eukaryota UNPD*
NPO12944 Sideritis tragoriganum Species Lamiaceae Eukaryota UNPD*
NPO15146 Myrica nana Species Myricaceae Eukaryota UNPD*
NPO26718 Chelidonura fulvipunctata Species Aglajidae Eukaryota UNPD*
NPO11873 Oecophylla smaragdina Species Formicidae Eukaryota UNPD*
NPO9203 Cephalonomia gallicola Species Bethylidae Eukaryota UNPD*
NPO211 Aplysina cauliformis Species Aplysinidae Eukaryota UNPD*
NPO14528 Pneumatospora obcoronata NA NA NA UNPD*
NPO14749 Lippia carviodora Species Verbenaceae Eukaryota UNPD*
NPO12089 Trifolium alexandrinum Species Fabaceae Eukaryota UNPD*
NPO5303 Castanea crenata Species Fagaceae Eukaryota UNPD*
NPO3164 Yponomeuta malinellus Species Yponomeutidae Eukaryota UNPD*
NPO1641 Amycolatopsis azurea Species Pseudonocardiaceae Bacteria UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota UNPD*
NPO11432 Centrolobium tomentosum Species Fabaceae Eukaryota UNPD*
NPO12717 Parmelia metastrigosa Species Parmeliaceae Eukaryota UNPD*
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota TCM_Taiwan*
NPO11637 Psilostrophe cooperi Species Asteraceae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota TCMID*
NPO11084 Asplenium normale Species Aspleniaceae Eukaryota UNPD*
NPO14845 Ceratophyllum submersum Species Ceratophyllaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 > 100 ug/ml 15165151

  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 NPC89929 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
0.9907 High Similarity NPC146432
0.9907 High Similarity NPC470778
0.9811 High Similarity NPC94509
0.963 High Similarity NPC213084
0.963 High Similarity NPC190185
0.955 High Similarity NPC470779
0.9537 High Similarity NPC299849
0.9211 High Similarity NPC18945
0.9211 High Similarity NPC67251
0.9211 High Similarity NPC265557
0.9211 High Similarity NPC91693
0.9211 High Similarity NPC105926
0.913 High Similarity NPC476729
0.9123 High Similarity NPC312833
0.8966 High Similarity NPC24651
0.885 High Similarity NPC473590
0.8814 High Similarity NPC476008
0.8772 High Similarity NPC470776
0.8772 High Similarity NPC17772
0.8729 High Similarity NPC477745
0.8644 High Similarity NPC470922
0.8596 High Similarity NPC328374
0.8596 High Similarity NPC474734
0.8596 High Similarity NPC96312
0.8596 High Similarity NPC251236
0.8596 High Similarity NPC40632
0.8596 High Similarity NPC16081
0.8596 High Similarity NPC173686
0.8584 High Similarity NPC477126
0.8534 High Similarity NPC470777
0.8522 High Similarity NPC122033
0.8522 High Similarity NPC470854
0.8522 High Similarity NPC287343
0.8522 High Similarity NPC474654
0.8522 High Similarity NPC176513
0.8522 High Similarity NPC97908
0.8522 High Similarity NPC470775
0.8509 High Similarity NPC143268
0.8509 High Similarity NPC473798
0.8509 High Similarity NPC323821
0.8509 High Similarity NPC268238
0.8509 High Similarity NPC45218
0.8468 Intermediate Similarity NPC262813
0.8462 Intermediate Similarity NPC109607
0.8462 Intermediate Similarity NPC107338
0.8448 Intermediate Similarity NPC297179
0.8448 Intermediate Similarity NPC251310
0.8421 Intermediate Similarity NPC49451
0.84 Intermediate Similarity NPC141215
0.84 Intermediate Similarity NPC190065
0.84 Intermediate Similarity NPC251998
0.84 Intermediate Similarity NPC471089
0.8376 Intermediate Similarity NPC475775
0.8376 Intermediate Similarity NPC476529
0.8374 Intermediate Similarity NPC478154
0.8347 Intermediate Similarity NPC470780
0.8333 Intermediate Similarity NPC295885
0.8333 Intermediate Similarity NPC140045
0.8333 Intermediate Similarity NPC596
0.8319 Intermediate Similarity NPC100908
0.8306 Intermediate Similarity NPC478151
0.8306 Intermediate Similarity NPC168879
0.8305 Intermediate Similarity NPC112038
0.8304 Intermediate Similarity NPC208461
0.8304 Intermediate Similarity NPC289702
0.8293 Intermediate Similarity NPC476074
0.8293 Intermediate Similarity NPC25998
0.8293 Intermediate Similarity NPC478155
0.8293 Intermediate Similarity NPC301639
0.8293 Intermediate Similarity NPC475377
0.8293 Intermediate Similarity NPC478065
0.8293 Intermediate Similarity NPC264566
0.8293 Intermediate Similarity NPC134914
0.8293 Intermediate Similarity NPC262796
0.8293 Intermediate Similarity NPC478064
0.8293 Intermediate Similarity NPC475167
0.8293 Intermediate Similarity NPC329993
0.8293 Intermediate Similarity NPC173435
0.8293 Intermediate Similarity NPC172374
0.8293 Intermediate Similarity NPC45346
0.8291 Intermediate Similarity NPC188667
0.8291 Intermediate Similarity NPC204552
0.8276 Intermediate Similarity NPC235539
0.8276 Intermediate Similarity NPC134869
0.8276 Intermediate Similarity NPC474046
0.8276 Intermediate Similarity NPC259306
0.8276 Intermediate Similarity NPC470628
0.8276 Intermediate Similarity NPC152199
0.8261 Intermediate Similarity NPC7921
0.8261 Intermediate Similarity NPC208998
0.8246 Intermediate Similarity NPC157476
0.8235 Intermediate Similarity NPC477046
0.8235 Intermediate Similarity NPC102822
0.8226 Intermediate Similarity NPC478150
0.8226 Intermediate Similarity NPC478153
0.8226 Intermediate Similarity NPC102316
0.8226 Intermediate Similarity NPC478152
0.822 Intermediate Similarity NPC473636
0.822 Intermediate Similarity NPC77689
0.822 Intermediate Similarity NPC211093
0.822 Intermediate Similarity NPC473839
0.8211 Intermediate Similarity NPC477196
0.8211 Intermediate Similarity NPC476851
0.8205 Intermediate Similarity NPC473968
0.8205 Intermediate Similarity NPC58662
0.8205 Intermediate Similarity NPC475809
0.8205 Intermediate Similarity NPC134430
0.819 Intermediate Similarity NPC474906
0.819 Intermediate Similarity NPC470919
0.819 Intermediate Similarity NPC469877
0.819 Intermediate Similarity NPC18547
0.8174 Intermediate Similarity NPC269530
0.8151 Intermediate Similarity NPC472004
0.8151 Intermediate Similarity NPC251226
0.8145 Intermediate Similarity NPC476852
0.8145 Intermediate Similarity NPC477197
0.813 Intermediate Similarity NPC477194
0.813 Intermediate Similarity NPC329923
0.813 Intermediate Similarity NPC476859
0.813 Intermediate Similarity NPC477193
0.813 Intermediate Similarity NPC477078
0.813 Intermediate Similarity NPC477191
0.813 Intermediate Similarity NPC477075
0.813 Intermediate Similarity NPC477192
0.813 Intermediate Similarity NPC475281
0.812 Intermediate Similarity NPC207217
0.8115 Intermediate Similarity NPC181999
0.8087 Intermediate Similarity NPC469656
0.8087 Intermediate Similarity NPC171888
0.8087 Intermediate Similarity NPC474846
0.8087 Intermediate Similarity NPC469655
0.8087 Intermediate Similarity NPC146945
0.8083 Intermediate Similarity NPC159456
0.8083 Intermediate Similarity NPC4021
0.808 Intermediate Similarity NPC477195
0.808 Intermediate Similarity NPC476776
0.807 Intermediate Similarity NPC474243
0.807 Intermediate Similarity NPC42662
0.8067 Intermediate Similarity NPC230513
0.8067 Intermediate Similarity NPC469488
0.8065 Intermediate Similarity NPC107536
0.8065 Intermediate Similarity NPC82380
0.8065 Intermediate Similarity NPC9470
0.8065 Intermediate Similarity NPC477076
0.8065 Intermediate Similarity NPC472267
0.8065 Intermediate Similarity NPC97918
0.8065 Intermediate Similarity NPC305793
0.8065 Intermediate Similarity NPC115656
0.8065 Intermediate Similarity NPC141600
0.8065 Intermediate Similarity NPC1314
0.8065 Intermediate Similarity NPC244296
0.8065 Intermediate Similarity NPC252657
0.8065 Intermediate Similarity NPC476854
0.8065 Intermediate Similarity NPC11577
0.8065 Intermediate Similarity NPC470913
0.8065 Intermediate Similarity NPC273878
0.8065 Intermediate Similarity NPC280029
0.8065 Intermediate Similarity NPC470518
0.8065 Intermediate Similarity NPC470912
0.8065 Intermediate Similarity NPC252289
0.8065 Intermediate Similarity NPC269484
0.8065 Intermediate Similarity NPC231529
0.8065 Intermediate Similarity NPC88311
0.8065 Intermediate Similarity NPC477079
0.8065 Intermediate Similarity NPC477077
0.8053 Intermediate Similarity NPC166993
0.8051 Intermediate Similarity NPC55296
0.8051 Intermediate Similarity NPC476713
0.8051 Intermediate Similarity NPC469684
0.8051 Intermediate Similarity NPC476712
0.8051 Intermediate Similarity NPC53396
0.8051 Intermediate Similarity NPC98249
0.8049 Intermediate Similarity NPC469757
0.8049 Intermediate Similarity NPC146456
0.8049 Intermediate Similarity NPC117702
0.8049 Intermediate Similarity NPC471357
0.8034 Intermediate Similarity NPC110861
0.8017 Intermediate Similarity NPC289312
0.8017 Intermediate Similarity NPC474516
0.8017 Intermediate Similarity NPC302146
0.8017 Intermediate Similarity NPC269642
0.8017 Intermediate Similarity NPC11252
0.8017 Intermediate Similarity NPC473877
0.8016 Intermediate Similarity NPC88668
0.8 Intermediate Similarity NPC476855
0.8 Intermediate Similarity NPC477656
0.8 Intermediate Similarity NPC268530
0.8 Intermediate Similarity NPC476780
0.8 Intermediate Similarity NPC476775
0.8 Intermediate Similarity NPC476774
0.8 Intermediate Similarity NPC477655
0.8 Intermediate Similarity NPC271610
0.8 Intermediate Similarity NPC478051
0.8 Intermediate Similarity NPC154491
0.7984 Intermediate Similarity NPC470475
0.7984 Intermediate Similarity NPC114306
0.7984 Intermediate Similarity NPC475636
0.7984 Intermediate Similarity NPC188291
0.7984 Intermediate Similarity NPC477490
0.7984 Intermediate Similarity NPC470476

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC89929 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
0.8304 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.792 Intermediate Similarity NPD7319 Approved
0.7805 Intermediate Similarity NPD8328 Phase 3
0.768 Intermediate Similarity NPD7507 Approved
0.7642 Intermediate Similarity NPD6921 Approved
0.7561 Intermediate Similarity NPD6319 Approved
0.7459 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7422 Intermediate Similarity NPD7736 Approved
0.7395 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD6686 Approved
0.7339 Intermediate Similarity NPD7516 Approved
0.7323 Intermediate Similarity NPD7492 Approved
0.7317 Intermediate Similarity NPD7115 Discovery
0.7311 Intermediate Similarity NPD6373 Approved
0.7311 Intermediate Similarity NPD6372 Approved
0.7281 Intermediate Similarity NPD7638 Approved
0.7281 Intermediate Similarity NPD4225 Approved
0.728 Intermediate Similarity NPD6059 Approved
0.728 Intermediate Similarity NPD6054 Approved
0.7273 Intermediate Similarity NPD8297 Approved
0.7266 Intermediate Similarity NPD6616 Approved
0.7258 Intermediate Similarity NPD7327 Approved
0.7258 Intermediate Similarity NPD7328 Approved
0.7217 Intermediate Similarity NPD7639 Approved
0.7217 Intermediate Similarity NPD7640 Approved
0.7213 Intermediate Similarity NPD8133 Approved
0.7209 Intermediate Similarity NPD8293 Discontinued
0.7209 Intermediate Similarity NPD7078 Approved
0.7203 Intermediate Similarity NPD6675 Approved
0.7203 Intermediate Similarity NPD5739 Approved
0.7203 Intermediate Similarity NPD7128 Approved
0.7203 Intermediate Similarity NPD6402 Approved
0.719 Intermediate Similarity NPD6649 Approved
0.719 Intermediate Similarity NPD6650 Approved
0.7165 Intermediate Similarity NPD6370 Approved
0.7143 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD8378 Approved
0.7087 Intermediate Similarity NPD8380 Approved
0.7087 Intermediate Similarity NPD8296 Approved
0.7087 Intermediate Similarity NPD8517 Approved
0.7087 Intermediate Similarity NPD8513 Phase 3
0.7087 Intermediate Similarity NPD6015 Approved
0.7087 Intermediate Similarity NPD8379 Approved
0.7087 Intermediate Similarity NPD6016 Approved
0.7087 Intermediate Similarity NPD8335 Approved
0.7087 Intermediate Similarity NPD8515 Approved
0.7087 Intermediate Similarity NPD8516 Approved
0.7083 Intermediate Similarity NPD7320 Approved
0.7083 Intermediate Similarity NPD6899 Approved
0.7083 Intermediate Similarity NPD6881 Approved
0.7073 Intermediate Similarity NPD4632 Approved
0.7031 Intermediate Similarity NPD5988 Approved
0.7008 Intermediate Similarity NPD8294 Approved
0.7008 Intermediate Similarity NPD8377 Approved
0.7 Intermediate Similarity NPD5697 Approved
0.7 Intermediate Similarity NPD5701 Approved
0.6992 Remote Similarity NPD6882 Approved
0.6967 Remote Similarity NPD7102 Approved
0.6967 Remote Similarity NPD6883 Approved
0.6967 Remote Similarity NPD7290 Approved
0.6953 Remote Similarity NPD8033 Approved
0.6911 Remote Similarity NPD6847 Approved
0.6911 Remote Similarity NPD6617 Approved
0.6911 Remote Similarity NPD6869 Approved
0.6911 Remote Similarity NPD8130 Phase 1
0.6905 Remote Similarity NPD6009 Approved
0.6885 Remote Similarity NPD6012 Approved
0.6885 Remote Similarity NPD6014 Approved
0.6885 Remote Similarity NPD6013 Approved
0.6885 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6864 Remote Similarity NPD1700 Approved
0.686 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7604 Phase 2
0.6829 Remote Similarity NPD4634 Approved
0.6822 Remote Similarity NPD5983 Phase 2
0.6803 Remote Similarity NPD6011 Approved
0.6774 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6767 Remote Similarity NPD6033 Approved
0.6752 Remote Similarity NPD7902 Approved
0.6742 Remote Similarity NPD6336 Discontinued
0.6721 Remote Similarity NPD6412 Phase 2
0.6692 Remote Similarity NPD8074 Phase 3
0.6692 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD46 Approved
0.6639 Remote Similarity NPD6008 Approved
0.6638 Remote Similarity NPD7748 Approved
0.6619 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6618 Remote Similarity NPD7260 Phase 2
0.661 Remote Similarity NPD4755 Approved
0.661 Remote Similarity NPD6083 Phase 2
0.661 Remote Similarity NPD6084 Phase 2
0.6609 Remote Similarity NPD7515 Phase 2
0.6609 Remote Similarity NPD8035 Phase 2
0.6609 Remote Similarity NPD8034 Phase 2
0.6583 Remote Similarity NPD5344 Discontinued
0.6562 Remote Similarity NPD6274 Approved
0.656 Remote Similarity NPD6371 Approved
0.6557 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5696 Approved
0.6538 Remote Similarity NPD7101 Approved
0.6538 Remote Similarity NPD7100 Approved
0.6529 Remote Similarity NPD5211 Phase 2
0.65 Remote Similarity NPD5286 Approved
0.65 Remote Similarity NPD5285 Approved
0.65 Remote Similarity NPD4696 Approved
0.65 Remote Similarity NPD4700 Approved
0.6496 Remote Similarity NPD7900 Approved
0.6496 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6462 Remote Similarity NPD6335 Approved
0.6457 Remote Similarity NPD6053 Discontinued
0.6449 Remote Similarity NPD6845 Suspended
0.6439 Remote Similarity NPD6909 Approved
0.6439 Remote Similarity NPD6908 Approved
0.6423 Remote Similarity NPD5141 Approved
0.6393 Remote Similarity NPD5226 Approved
0.6393 Remote Similarity NPD5225 Approved
0.6393 Remote Similarity NPD4633 Approved
0.6393 Remote Similarity NPD5224 Approved
0.6387 Remote Similarity NPD4697 Phase 3
0.6385 Remote Similarity NPD6317 Approved
0.6372 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6371 Remote Similarity NPD4767 Approved
0.6371 Remote Similarity NPD4768 Approved
0.6356 Remote Similarity NPD5282 Discontinued
0.6341 Remote Similarity NPD5175 Approved
0.6341 Remote Similarity NPD5174 Approved
0.6336 Remote Similarity NPD6313 Approved
0.6336 Remote Similarity NPD6314 Approved
0.633 Remote Similarity NPD6115 Approved
0.633 Remote Similarity NPD6697 Approved
0.633 Remote Similarity NPD6114 Approved
0.633 Remote Similarity NPD6118 Approved
0.6325 Remote Similarity NPD7983 Approved
0.6325 Remote Similarity NPD6411 Approved
0.6316 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5223 Approved
0.6308 Remote Similarity NPD6868 Approved
0.6303 Remote Similarity NPD5695 Phase 3
0.6303 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6293 Remote Similarity NPD5328 Approved
0.6271 Remote Similarity NPD6399 Phase 3
0.6271 Remote Similarity NPD5778 Approved
0.6271 Remote Similarity NPD5779 Approved
0.627 Remote Similarity NPD4730 Approved
0.627 Remote Similarity NPD4729 Approved
0.6261 Remote Similarity NPD3573 Approved
0.625 Remote Similarity NPD5221 Approved
0.625 Remote Similarity NPD5220 Clinical (unspecified phase)
0.625 Remote Similarity NPD5222 Approved
0.6239 Remote Similarity NPD6116 Phase 1
0.623 Remote Similarity NPD6648 Approved
0.621 Remote Similarity NPD4754 Approved
0.6207 Remote Similarity NPD5737 Approved
0.6207 Remote Similarity NPD6672 Approved
0.6198 Remote Similarity NPD5173 Approved
0.6197 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6079 Approved
0.6186 Remote Similarity NPD5693 Phase 1
0.6174 Remote Similarity NPD3618 Phase 1
0.6172 Remote Similarity NPD5251 Approved
0.6172 Remote Similarity NPD5249 Phase 3
0.6172 Remote Similarity NPD5248 Approved
0.6172 Remote Similarity NPD5250 Approved
0.6172 Remote Similarity NPD5247 Approved
0.6154 Remote Similarity NPD6101 Approved
0.6154 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6147 Remote Similarity NPD6117 Approved
0.6142 Remote Similarity NPD5128 Approved
0.6135 Remote Similarity NPD7799 Discontinued
0.6127 Remote Similarity NPD8415 Approved
0.6106 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6087 Remote Similarity NPD1694 Approved
0.6071 Remote Similarity NPD8407 Phase 2
0.6071 Remote Similarity NPD5956 Approved
0.6068 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6055 Remote Similarity NPD3703 Phase 2
0.605 Remote Similarity NPD7637 Suspended
0.6033 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6033 Remote Similarity NPD5210 Approved
0.6033 Remote Similarity NPD4629 Approved
0.6032 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6032 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6026 Remote Similarity NPD7236 Approved
0.6017 Remote Similarity NPD6673 Approved
0.6017 Remote Similarity NPD6904 Approved
0.6017 Remote Similarity NPD4753 Phase 2
0.6017 Remote Similarity NPD6080 Approved
0.6016 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6 Remote Similarity NPD5215 Approved
0.6 Remote Similarity NPD6333 Approved
0.6 Remote Similarity NPD5217 Approved
0.6 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD8434 Phase 2
0.6 Remote Similarity NPD6334 Approved
0.6 Remote Similarity NPD5216 Approved
0.5988 Remote Similarity NPD8368 Discontinued

Structure

External Identifiers

PubChem CID   11214625
ChEMBL   CHEMBL443898
ZINC  

Physicochemical Properties

Molecular Weight:  524.23
ALogP:  -1.2449
MLogP:  3.11
XLogP:  0.923
# Rotatable Bonds:  14
Polar Surface Area:  169.05
# H-Bond Aceptor:  11
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  37

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs