Natural Product: NPC94509

Natural Product ID:  NPC94509
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H36O13
Standard InCHIKey:  MOPJOSMHIBNYOK-OFEMSGAVSA-N
Standard InCHI:  InChI=1S/C27H36O13/c1-11(2)7-16(30)40-18-20-26-10-38-27(20,24(35)37-6)21(32)17(31)19(26)25(4,9-15(28)29)13(12(3)22(33)36-5)8-14(26)39-23(18)34/h7,12-14,17-21,31-32H,8-10H2,1-6H3,(H,28,29)/t12-,13-,14+,17+,18+,19+,20+,21-,25-,26+,27-/m0/s1
Canonical SMILES:  COC(=O)[C@H]([C@@H]1C[C@H]2OC(=O)[C@@H]([C@@H]3[C@]42[C@@H]([C@@]1(C)CC(=O)O)[C@@H](O)[C@@H]([C@]3(OC4)C(=O)OC)O)OC(=O)C=C(C)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
NPO1641 Amycolatopsis azurea Species Pseudonocardiaceae Bacteria UNPD*
NPO12944 Sideritis tragoriganum Species Lamiaceae Eukaryota UNPD*
NPO26718 Chelidonura fulvipunctata Species Aglajidae Eukaryota UNPD*
NPO14749 Lippia carviodora Species Verbenaceae Eukaryota UNPD*
NPO11873 Oecophylla smaragdina Species Formicidae Eukaryota UNPD*
NPO5303 Castanea crenata Species Fagaceae Eukaryota UNPD*
NPO3164 Yponomeuta malinellus Species Yponomeutidae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota UNPD*
NPO11084 Asplenium normale Species Aspleniaceae Eukaryota UNPD*
NPO14528 Pneumatospora obcoronata NA NA NA UNPD*
NPO11432 Centrolobium tomentosum Species Fabaceae Eukaryota UNPD*
NPO211 Aplysina cauliformis Species Aplysinidae Eukaryota UNPD*
NPO12089 Trifolium alexandrinum Species Fabaceae Eukaryota UNPD*
NPO14845 Ceratophyllum submersum Species Ceratophyllaceae Eukaryota UNPD*
NPO14150 Solanum jamaicense Species Solanaceae Eukaryota UNPD*
NPO12717 Parmelia metastrigosa Species Parmeliaceae Eukaryota UNPD*
NPO9203 Cephalonomia gallicola Species Bethylidae Eukaryota UNPD*
NPO11637 Psilostrophe cooperi Species Asteraceae Eukaryota UNPD*
NPO10818 Carpobrotus edulis Species Aizoaceae Eukaryota UNPD*
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota UNPD*
NPO15146 Myrica nana Species Myricaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 10000 nM 22506620
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 22506620
NPT547 Cell Line BGC-823 Homo sapiens IC50 > 10000 nM 22506620
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 22506620
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 10000 nM 22506620

  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 NPC94509 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
0.9811 High Similarity NPC213084
0.9811 High Similarity NPC190185
0.9811 High Similarity NPC89929
0.972 High Similarity NPC470778
0.972 High Similarity NPC146432
0.9717 High Similarity NPC299849
0.9369 High Similarity NPC470779
0.9204 High Similarity NPC105926
0.9204 High Similarity NPC265557
0.9204 High Similarity NPC18945
0.9204 High Similarity NPC67251
0.9204 High Similarity NPC91693
0.9123 High Similarity NPC476729
0.9115 High Similarity NPC312833
0.8957 High Similarity NPC24651
0.8839 High Similarity NPC473590
0.8803 High Similarity NPC476008
0.8761 High Similarity NPC470776
0.8761 High Similarity NPC17772
0.8739 High Similarity NPC477126
0.8718 High Similarity NPC477745
0.8632 High Similarity NPC470922
0.8584 High Similarity NPC16081
0.8584 High Similarity NPC173686
0.8584 High Similarity NPC474734
0.8584 High Similarity NPC328374
0.8584 High Similarity NPC96312
0.8584 High Similarity NPC251236
0.8584 High Similarity NPC40632
0.8522 High Similarity NPC470777
0.8509 High Similarity NPC122033
0.8509 High Similarity NPC470854
0.8509 High Similarity NPC287343
0.8509 High Similarity NPC474654
0.8509 High Similarity NPC176513
0.8509 High Similarity NPC470775
0.8509 High Similarity NPC97908
0.8496 Intermediate Similarity NPC268238
0.8496 Intermediate Similarity NPC143268
0.8496 Intermediate Similarity NPC45218
0.8496 Intermediate Similarity NPC323821
0.8496 Intermediate Similarity NPC473798
0.8455 Intermediate Similarity NPC262813
0.8455 Intermediate Similarity NPC289702
0.8455 Intermediate Similarity NPC208461
0.8448 Intermediate Similarity NPC107338
0.8448 Intermediate Similarity NPC109607
0.8435 Intermediate Similarity NPC297179
0.8435 Intermediate Similarity NPC251310
0.8407 Intermediate Similarity NPC49451
0.8393 Intermediate Similarity NPC157476
0.8387 Intermediate Similarity NPC190065
0.8387 Intermediate Similarity NPC141215
0.8387 Intermediate Similarity NPC471089
0.8387 Intermediate Similarity NPC251998
0.8362 Intermediate Similarity NPC475775
0.8362 Intermediate Similarity NPC476529
0.8348 Intermediate Similarity NPC58662
0.8347 Intermediate Similarity NPC476851
0.8333 Intermediate Similarity NPC470780
0.832 Intermediate Similarity NPC295885
0.832 Intermediate Similarity NPC140045
0.832 Intermediate Similarity NPC596
0.8319 Intermediate Similarity NPC269530
0.8304 Intermediate Similarity NPC100908
0.8293 Intermediate Similarity NPC168879
0.8291 Intermediate Similarity NPC472004
0.8291 Intermediate Similarity NPC112038
0.8279 Intermediate Similarity NPC476852
0.8276 Intermediate Similarity NPC188667
0.8276 Intermediate Similarity NPC204552
0.8264 Intermediate Similarity NPC476859
0.8261 Intermediate Similarity NPC474046
0.8261 Intermediate Similarity NPC259306
0.8261 Intermediate Similarity NPC470628
0.8261 Intermediate Similarity NPC152199
0.8261 Intermediate Similarity NPC235539
0.8261 Intermediate Similarity NPC207217
0.8261 Intermediate Similarity NPC134869
0.8246 Intermediate Similarity NPC208998
0.8246 Intermediate Similarity NPC7921
0.823 Intermediate Similarity NPC469655
0.823 Intermediate Similarity NPC469656
0.823 Intermediate Similarity NPC474846
0.822 Intermediate Similarity NPC102822
0.822 Intermediate Similarity NPC477046
0.8214 Intermediate Similarity NPC474243
0.8214 Intermediate Similarity NPC42662
0.8211 Intermediate Similarity NPC478154
0.8211 Intermediate Similarity NPC102316
0.8197 Intermediate Similarity NPC476854
0.819 Intermediate Similarity NPC53396
0.819 Intermediate Similarity NPC98249
0.819 Intermediate Similarity NPC476712
0.819 Intermediate Similarity NPC476713
0.819 Intermediate Similarity NPC473968
0.819 Intermediate Similarity NPC469684
0.8174 Intermediate Similarity NPC469877
0.8174 Intermediate Similarity NPC470919
0.8174 Intermediate Similarity NPC474906
0.8174 Intermediate Similarity NPC18547
0.8158 Intermediate Similarity NPC474516
0.8158 Intermediate Similarity NPC473877
0.8145 Intermediate Similarity NPC478151
0.813 Intermediate Similarity NPC476074
0.813 Intermediate Similarity NPC478065
0.813 Intermediate Similarity NPC475377
0.813 Intermediate Similarity NPC172374
0.813 Intermediate Similarity NPC475167
0.813 Intermediate Similarity NPC45346
0.813 Intermediate Similarity NPC25998
0.813 Intermediate Similarity NPC262796
0.813 Intermediate Similarity NPC134914
0.813 Intermediate Similarity NPC173435
0.813 Intermediate Similarity NPC478064
0.813 Intermediate Similarity NPC476855
0.813 Intermediate Similarity NPC264566
0.813 Intermediate Similarity NPC478155
0.813 Intermediate Similarity NPC329993
0.813 Intermediate Similarity NPC301639
0.8125 Intermediate Similarity NPC37628
0.812 Intermediate Similarity NPC284707
0.8103 Intermediate Similarity NPC476711
0.8103 Intermediate Similarity NPC476710
0.8099 Intermediate Similarity NPC181999
0.8091 Intermediate Similarity NPC61442
0.8087 Intermediate Similarity NPC198539
0.8087 Intermediate Similarity NPC478212
0.807 Intermediate Similarity NPC146945
0.807 Intermediate Similarity NPC171888
0.8065 Intermediate Similarity NPC478153
0.8065 Intermediate Similarity NPC478150
0.8065 Intermediate Similarity NPC478152
0.8051 Intermediate Similarity NPC473839
0.8051 Intermediate Similarity NPC469488
0.8051 Intermediate Similarity NPC211093
0.8051 Intermediate Similarity NPC473636
0.8051 Intermediate Similarity NPC77689
0.8049 Intermediate Similarity NPC477196
0.8036 Intermediate Similarity NPC144854
0.8036 Intermediate Similarity NPC3316
0.8036 Intermediate Similarity NPC78966
0.8036 Intermediate Similarity NPC166993
0.8036 Intermediate Similarity NPC187435
0.8036 Intermediate Similarity NPC67321
0.8036 Intermediate Similarity NPC284732
0.8034 Intermediate Similarity NPC13713
0.8034 Intermediate Similarity NPC134430
0.8034 Intermediate Similarity NPC475809
0.8034 Intermediate Similarity NPC478204
0.8034 Intermediate Similarity NPC296822
0.8018 Intermediate Similarity NPC477127
0.8017 Intermediate Similarity NPC117712
0.8017 Intermediate Similarity NPC178289
0.8 Intermediate Similarity NPC289312
0.8 Intermediate Similarity NPC472002
0.8 Intermediate Similarity NPC11252
0.8 Intermediate Similarity NPC317687
0.8 Intermediate Similarity NPC269642
0.8 Intermediate Similarity NPC302146
0.8 Intermediate Similarity NPC88668
0.8 Intermediate Similarity NPC222688
0.7984 Intermediate Similarity NPC477197
0.7984 Intermediate Similarity NPC476862
0.7984 Intermediate Similarity NPC476863
0.7983 Intermediate Similarity NPC251226
0.7983 Intermediate Similarity NPC109973
0.7982 Intermediate Similarity NPC477656
0.7982 Intermediate Similarity NPC477655
0.7982 Intermediate Similarity NPC5103
0.7982 Intermediate Similarity NPC47024
0.7967 Intermediate Similarity NPC475636
0.7967 Intermediate Similarity NPC477192
0.7967 Intermediate Similarity NPC477078
0.7967 Intermediate Similarity NPC477191
0.7967 Intermediate Similarity NPC295220
0.7967 Intermediate Similarity NPC477194
0.7967 Intermediate Similarity NPC475281
0.7967 Intermediate Similarity NPC188291
0.7967 Intermediate Similarity NPC329923
0.7967 Intermediate Similarity NPC477075
0.7967 Intermediate Similarity NPC477193
0.7966 Intermediate Similarity NPC478205
0.7966 Intermediate Similarity NPC478206
0.7966 Intermediate Similarity NPC240509
0.7966 Intermediate Similarity NPC108581
0.7965 Intermediate Similarity NPC293850
0.7965 Intermediate Similarity NPC273155
0.7965 Intermediate Similarity NPC154608
0.7965 Intermediate Similarity NPC277017
0.7965 Intermediate Similarity NPC192813
0.7953 Intermediate Similarity NPC243014
0.7951 Intermediate Similarity NPC225049
0.7951 Intermediate Similarity NPC87662
0.7951 Intermediate Similarity NPC293112
0.7951 Intermediate Similarity NPC473635
0.7949 Intermediate Similarity NPC471816
0.7949 Intermediate Similarity NPC270478
0.7949 Intermediate Similarity NPC474333
0.7949 Intermediate Similarity NPC179626

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC94509 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
0.8455 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD6921 Approved
0.776 Intermediate Similarity NPD7319 Approved
0.7686 Intermediate Similarity NPD6319 Approved
0.7642 Intermediate Similarity NPD8328 Phase 3
0.7586 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD7507 Approved
0.75 Intermediate Similarity NPD6686 Approved
0.744 Intermediate Similarity NPD7492 Approved
0.7436 Intermediate Similarity NPD6372 Approved
0.7436 Intermediate Similarity NPD6373 Approved
0.7411 Intermediate Similarity NPD4225 Approved
0.7398 Intermediate Similarity NPD6054 Approved
0.7398 Intermediate Similarity NPD6059 Approved
0.7395 Intermediate Similarity NPD8297 Approved
0.7381 Intermediate Similarity NPD6616 Approved
0.7328 Intermediate Similarity NPD6402 Approved
0.7328 Intermediate Similarity NPD5739 Approved
0.7328 Intermediate Similarity NPD6675 Approved
0.7328 Intermediate Similarity NPD7128 Approved
0.7323 Intermediate Similarity NPD8293 Discontinued
0.7323 Intermediate Similarity NPD7078 Approved
0.7311 Intermediate Similarity NPD6650 Approved
0.7311 Intermediate Similarity NPD6649 Approved
0.7295 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD7115 Discovery
0.728 Intermediate Similarity NPD6370 Approved
0.7266 Intermediate Similarity NPD7736 Approved
0.7265 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD7638 Approved
0.7203 Intermediate Similarity NPD6881 Approved
0.7203 Intermediate Similarity NPD7320 Approved
0.7203 Intermediate Similarity NPD6899 Approved
0.72 Intermediate Similarity NPD6015 Approved
0.72 Intermediate Similarity NPD6016 Approved
0.7193 Intermediate Similarity NPD7640 Approved
0.7193 Intermediate Similarity NPD7639 Approved
0.719 Intermediate Similarity NPD4632 Approved
0.7177 Intermediate Similarity NPD7516 Approved
0.7143 Intermediate Similarity NPD5988 Approved
0.7119 Intermediate Similarity NPD5697 Approved
0.7119 Intermediate Similarity NPD5701 Approved
0.7107 Intermediate Similarity NPD6882 Approved
0.7097 Intermediate Similarity NPD7327 Approved
0.7097 Intermediate Similarity NPD7328 Approved
0.7083 Intermediate Similarity NPD7102 Approved
0.7083 Intermediate Similarity NPD6883 Approved
0.7083 Intermediate Similarity NPD7290 Approved
0.7063 Intermediate Similarity NPD8517 Approved
0.7063 Intermediate Similarity NPD8516 Approved
0.7063 Intermediate Similarity NPD8513 Phase 3
0.7063 Intermediate Similarity NPD8515 Approved
0.7049 Intermediate Similarity NPD8133 Approved
0.7025 Intermediate Similarity NPD6617 Approved
0.7025 Intermediate Similarity NPD6847 Approved
0.7025 Intermediate Similarity NPD6869 Approved
0.7025 Intermediate Similarity NPD8130 Phase 1
0.7016 Intermediate Similarity NPD6009 Approved
0.7 Intermediate Similarity NPD6014 Approved
0.7 Intermediate Similarity NPD6013 Approved
0.7 Intermediate Similarity NPD6012 Approved
0.6983 Remote Similarity NPD1700 Approved
0.6975 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6953 Remote Similarity NPD7604 Phase 2
0.6942 Remote Similarity NPD4634 Approved
0.6929 Remote Similarity NPD8296 Approved
0.6929 Remote Similarity NPD8378 Approved
0.6929 Remote Similarity NPD8335 Approved
0.6929 Remote Similarity NPD8380 Approved
0.6929 Remote Similarity NPD8379 Approved
0.6929 Remote Similarity NPD5983 Phase 2
0.6917 Remote Similarity NPD6011 Approved
0.6885 Remote Similarity NPD6401 Clinical (unspecified phase)
0.687 Remote Similarity NPD6033 Approved
0.686 Remote Similarity NPD8132 Clinical (unspecified phase)
0.685 Remote Similarity NPD8294 Approved
0.685 Remote Similarity NPD8377 Approved
0.6846 Remote Similarity NPD6336 Discontinued
0.6797 Remote Similarity NPD8033 Approved
0.6794 Remote Similarity NPD8074 Phase 3
0.6786 Remote Similarity NPD6698 Approved
0.6786 Remote Similarity NPD46 Approved
0.675 Remote Similarity NPD6008 Approved
0.6748 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6724 Remote Similarity NPD4755 Approved
0.6724 Remote Similarity NPD6084 Phase 2
0.6724 Remote Similarity NPD6083 Phase 2
0.6716 Remote Similarity NPD7260 Phase 2
0.6715 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6695 Remote Similarity NPD5344 Discontinued
0.6694 Remote Similarity NPD6412 Phase 2
0.6667 Remote Similarity NPD6274 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD6371 Approved
0.6641 Remote Similarity NPD7101 Approved
0.6641 Remote Similarity NPD7100 Approved
0.6639 Remote Similarity NPD7632 Discontinued
0.6639 Remote Similarity NPD5211 Phase 2
0.661 Remote Similarity NPD4696 Approved
0.661 Remote Similarity NPD5285 Approved
0.661 Remote Similarity NPD5286 Approved
0.661 Remote Similarity NPD4700 Approved
0.6581 Remote Similarity NPD7902 Approved
0.6562 Remote Similarity NPD6335 Approved
0.656 Remote Similarity NPD6053 Discontinued
0.6544 Remote Similarity NPD6845 Suspended
0.6538 Remote Similarity NPD6908 Approved
0.6538 Remote Similarity NPD6909 Approved
0.6529 Remote Similarity NPD5141 Approved
0.65 Remote Similarity NPD5225 Approved
0.65 Remote Similarity NPD5226 Approved
0.65 Remote Similarity NPD5224 Approved
0.65 Remote Similarity NPD4633 Approved
0.6496 Remote Similarity NPD4697 Phase 3
0.6484 Remote Similarity NPD6317 Approved
0.6475 Remote Similarity NPD4767 Approved
0.6475 Remote Similarity NPD4768 Approved
0.6466 Remote Similarity NPD5282 Discontinued
0.6466 Remote Similarity NPD7748 Approved
0.6446 Remote Similarity NPD5174 Approved
0.6446 Remote Similarity NPD5175 Approved
0.6435 Remote Similarity NPD7515 Phase 2
0.6435 Remote Similarity NPD7983 Approved
0.6435 Remote Similarity NPD8035 Phase 2
0.6435 Remote Similarity NPD6411 Approved
0.6435 Remote Similarity NPD8034 Phase 2
0.6434 Remote Similarity NPD6314 Approved
0.6434 Remote Similarity NPD6313 Approved
0.6417 Remote Similarity NPD5223 Approved
0.6412 Remote Similarity NPD6291 Clinical (unspecified phase)
0.641 Remote Similarity NPD5695 Phase 3
0.641 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6406 Remote Similarity NPD6868 Approved
0.6404 Remote Similarity NPD5328 Approved
0.6393 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5778 Approved
0.6379 Remote Similarity NPD6399 Phase 3
0.6379 Remote Similarity NPD5779 Approved
0.6371 Remote Similarity NPD4730 Approved
0.6371 Remote Similarity NPD4729 Approved
0.6356 Remote Similarity NPD5221 Approved
0.6356 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6356 Remote Similarity NPD5222 Approved
0.6333 Remote Similarity NPD6648 Approved
0.6325 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6325 Remote Similarity NPD7900 Approved
0.6316 Remote Similarity NPD5737 Approved
0.6316 Remote Similarity NPD6672 Approved
0.6311 Remote Similarity NPD4754 Approved
0.6303 Remote Similarity NPD5173 Approved
0.6296 Remote Similarity NPD6114 Approved
0.6296 Remote Similarity NPD6697 Approved
0.6296 Remote Similarity NPD6115 Approved
0.6296 Remote Similarity NPD6118 Approved
0.6293 Remote Similarity NPD5693 Phase 1
0.6293 Remote Similarity NPD6079 Approved
0.6286 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6283 Remote Similarity NPD3618 Phase 1
0.627 Remote Similarity NPD5250 Approved
0.627 Remote Similarity NPD5248 Approved
0.627 Remote Similarity NPD5249 Phase 3
0.627 Remote Similarity NPD5247 Approved
0.627 Remote Similarity NPD5251 Approved
0.6261 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6101 Approved
0.624 Remote Similarity NPD5128 Approved
0.6228 Remote Similarity NPD3573 Approved
0.6216 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6214 Remote Similarity NPD8415 Approved
0.6204 Remote Similarity NPD6116 Phase 1
0.6195 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6195 Remote Similarity NPD1694 Approved
0.6159 Remote Similarity NPD5956 Approved
0.6154 Remote Similarity NPD7637 Suspended
0.6145 Remote Similarity NPD8407 Phase 2
0.6134 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6134 Remote Similarity NPD5210 Approved
0.6134 Remote Similarity NPD4629 Approved
0.6129 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6129 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6121 Remote Similarity NPD6904 Approved
0.6121 Remote Similarity NPD6080 Approved
0.6121 Remote Similarity NPD6673 Approved
0.6121 Remote Similarity NPD4753 Phase 2
0.6116 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6117 Approved
0.6102 Remote Similarity NPD4202 Approved
0.6094 Remote Similarity NPD5216 Approved
0.6094 Remote Similarity NPD5217 Approved
0.6094 Remote Similarity NPD5215 Approved
0.6084 Remote Similarity NPD6333 Approved
0.6084 Remote Similarity NPD6334 Approved
0.6074 Remote Similarity NPD6067 Discontinued
0.6071 Remote Similarity NPD8434 Phase 2
0.6068 Remote Similarity NPD7838 Discovery
0.6061 Remote Similarity NPD8368 Discontinued
0.6019 Remote Similarity NPD3703 Phase 2
0.6016 Remote Similarity NPD5169 Approved

Structure

External Identifiers

PubChem CID   70692363
ChEMBL   CHEMBL2448519
ZINC  

Physicochemical Properties

Molecular Weight:  568.22
ALogP:  -0.3183
MLogP:  3
XLogP:  0.729
# Rotatable Bonds:  19
Polar Surface Area:  192.19
# H-Bond Aceptor:  13
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  40

Download Data

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