Natural Product: NPC13603

Natural Product ID:  NPC13603
Common Name:   Wilfortrine
IUPAC Name:  
Synonyms:   Wilfortrine
Molecular Formula:   C41H47NO20
Standard InCHIKey:  BGZMJSHSQVGXTE-MIFXYLFUSA-N
Standard InCHI:  InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-35(49)26-12-10-16-53-26)61-36(50)37(6,51)14-13-25-24(11-9-15-42-25)34(48)55-17-38(27,7)62-41/h9-12,15-16,27-33,51-52H,13-14,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37?,38+,39+,40-,41+/m1/s1
Canonical SMILES:  CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)c3ccco3)[C@H]3[C@]([C@@]42O[C@@]([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)[C@H]4OC(=O)C)(C)COC(=O)c1cccnc1CCC(C(=O)O3)(C)O)(C)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
NPO13661 Tripterygium wilfordii Species Celastraceae Eukaryota Roots PMID[16989518]
NPO13661 Tripterygium wilfordii Species Celastraceae Eukaryota dried roots Purchased from Sichuan Neautus Traditional Chinese Medicine Co. Ltd. (Chengdu, P.R. China) PMID[22148431]
NPO13661 Tripterygium wilfordii Species Celastraceae Eukaryota Leaves PMID[23268606]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 < 0.1 ug/ml PubChem BioAssay data set
NPT179 Cell Line A2780 Homo sapiens IC50 > 1000 nM 23910596
NPT2 Others Unspecified Ratio IC50/EC50 > 1000 21984958
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 1000 nM 10.6019/CHEMBL1201861
NPT759 Cell Line H9 Homo sapiens IC50 > 100 ug/ml 10.6019/CHEMBL1201861
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 1000 nM 12350153
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 < 0.1 ug/ml 17112723
NPT759 Cell Line H9 Homo sapiens IC50 > 100 ug/ml 19487444
NPT547 Cell Line BGC-823 Homo sapiens IC50 > 1000 nM 20585113
NPT81 Cell Line A549 Homo sapiens IC50 > 1000 nM 17503850
NPT2 Others Unspecified Ratio IC50/EC50 > 1000 17844994

  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 NPC13603 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
0.9955 High Similarity NPC85879
0.9955 High Similarity NPC53255
0.9867 High Similarity NPC326930
0.9867 High Similarity NPC475301
0.9694 High Similarity NPC473833
0.9643 High Similarity NPC475533
0.961 High Similarity NPC328928
0.96 High Similarity NPC324619
0.96 High Similarity NPC475315
0.9526 High Similarity NPC471978
0.9404 High Similarity NPC471979
0.9142 High Similarity NPC471015
0.9004 High Similarity NPC148896
0.9004 High Similarity NPC180668
0.9004 High Similarity NPC471013
0.8982 High Similarity NPC320324
0.8982 High Similarity NPC244839
0.8982 High Similarity NPC319880
0.8973 High Similarity NPC146824
0.8943 High Similarity NPC237702
0.8938 High Similarity NPC292416
0.8938 High Similarity NPC473689
0.8933 High Similarity NPC475362
0.8913 High Similarity NPC253482
0.8865 High Similarity NPC38959
0.8865 High Similarity NPC327904
0.8851 High Similarity NPC10904
0.8839 High Similarity NPC57797
0.8839 High Similarity NPC250807
0.8821 High Similarity NPC35208
0.8821 High Similarity NPC475406
0.8805 High Similarity NPC328186
0.8805 High Similarity NPC122968
0.8805 High Similarity NPC477787
0.8805 High Similarity NPC228377
0.88 High Similarity NPC473850
0.8798 High Similarity NPC475648
0.8756 High Similarity NPC76565
0.8722 High Similarity NPC87152
0.8722 High Similarity NPC476110
0.8722 High Similarity NPC475631
0.8722 High Similarity NPC475600
0.8717 High Similarity NPC475137
0.8717 High Similarity NPC475498
0.869 High Similarity NPC316841
0.8684 High Similarity NPC471190
0.8684 High Similarity NPC470486
0.8684 High Similarity NPC471977
0.8684 High Similarity NPC475644
0.8658 High Similarity NPC475426
0.864 High Similarity NPC475601
0.8634 High Similarity NPC328154
0.8628 High Similarity NPC477788
0.8609 High Similarity NPC475596
0.8609 High Similarity NPC475303
0.8596 High Similarity NPC473506
0.8596 High Similarity NPC148860
0.8578 High Similarity NPC327769
0.8571 High Similarity NPC30456
0.8571 High Similarity NPC471016
0.8528 High Similarity NPC96801
0.8528 High Similarity NPC150698
0.8527 High Similarity NPC470306
0.8502 High Similarity NPC477912
0.8496 Intermediate Similarity NPC301368
0.8496 Intermediate Similarity NPC84815
0.8491 Intermediate Similarity NPC469748
0.8489 Intermediate Similarity NPC475408
0.8489 Intermediate Similarity NPC471014
0.8419 Intermediate Similarity NPC170751
0.8412 Intermediate Similarity NPC471004
0.8407 Intermediate Similarity NPC6981
0.8384 Intermediate Similarity NPC127026
0.8384 Intermediate Similarity NPC127720
0.837 Intermediate Similarity NPC62367
0.837 Intermediate Similarity NPC294579
0.837 Intermediate Similarity NPC144779
0.8348 Intermediate Similarity NPC471980
0.8333 Intermediate Similarity NPC216428
0.8319 Intermediate Similarity NPC319128
0.8319 Intermediate Similarity NPC228331
0.8319 Intermediate Similarity NPC4421
0.8304 Intermediate Similarity NPC477911
0.8282 Intermediate Similarity NPC477907
0.8282 Intermediate Similarity NPC42678
0.8282 Intermediate Similarity NPC477909
0.8282 Intermediate Similarity NPC477910
0.824 Intermediate Similarity NPC211920
0.824 Intermediate Similarity NPC124029
0.8233 Intermediate Similarity NPC477902
0.823 Intermediate Similarity NPC472553
0.821 Intermediate Similarity NPC75600
0.821 Intermediate Similarity NPC6576
0.821 Intermediate Similarity NPC158020
0.821 Intermediate Similarity NPC473089
0.821 Intermediate Similarity NPC473115
0.821 Intermediate Similarity NPC212768
0.8174 Intermediate Similarity NPC472555
0.8136 Intermediate Similarity NPC477906
0.8097 Intermediate Similarity NPC48042
0.8097 Intermediate Similarity NPC472550
0.8097 Intermediate Similarity NPC304179
0.8087 Intermediate Similarity NPC477908
0.8087 Intermediate Similarity NPC206343
0.8067 Intermediate Similarity NPC238278
0.8051 Intermediate Similarity NPC311196
0.8051 Intermediate Similarity NPC134384
0.8026 Intermediate Similarity NPC477903
0.8025 Intermediate Similarity NPC213143
0.8008 Intermediate Similarity NPC14116
0.8008 Intermediate Similarity NPC285411
0.8 Intermediate Similarity NPC264674
0.8 Intermediate Similarity NPC26881
0.8 Intermediate Similarity NPC477900
0.8 Intermediate Similarity NPC477899
0.7991 Intermediate Similarity NPC235364
0.7974 Intermediate Similarity NPC63041
0.7924 Intermediate Similarity NPC233727
0.7906 Intermediate Similarity NPC477901
0.7866 Intermediate Similarity NPC91125
0.786 Intermediate Similarity NPC472752
0.7814 Intermediate Similarity NPC107123
0.7759 Intermediate Similarity NPC476467
0.7686 Intermediate Similarity NPC289086
0.7682 Intermediate Similarity NPC280473
0.7682 Intermediate Similarity NPC323551
0.7669 Intermediate Similarity NPC187494
0.7669 Intermediate Similarity NPC319556
0.765 Intermediate Similarity NPC41724
0.765 Intermediate Similarity NPC51008
0.7639 Intermediate Similarity NPC470189
0.7639 Intermediate Similarity NPC40919
0.7586 Intermediate Similarity NPC470190
0.7585 Intermediate Similarity NPC207531
0.7585 Intermediate Similarity NPC30570
0.7532 Intermediate Similarity NPC292517
0.7511 Intermediate Similarity NPC62844
0.7511 Intermediate Similarity NPC193361
0.751 Intermediate Similarity NPC119134
0.75 Intermediate Similarity NPC165837
0.75 Intermediate Similarity NPC253314
0.749 Intermediate Similarity NPC476090
0.748 Intermediate Similarity NPC183537
0.7479 Intermediate Similarity NPC162812
0.7461 Intermediate Similarity NPC478045
0.745 Intermediate Similarity NPC15406
0.7441 Intermediate Similarity NPC134637
0.744 Intermediate Similarity NPC210296
0.7429 Intermediate Similarity NPC24019
0.7426 Intermediate Similarity NPC236668
0.7421 Intermediate Similarity NPC124313
0.7419 Intermediate Similarity NPC108342
0.7412 Intermediate Similarity NPC77878
0.7395 Intermediate Similarity NPC146976
0.7393 Intermediate Similarity NPC475835
0.739 Intermediate Similarity NPC189903
0.739 Intermediate Similarity NPC182907
0.7379 Intermediate Similarity NPC90875
0.7368 Intermediate Similarity NPC233334
0.7359 Intermediate Similarity NPC470279
0.7341 Intermediate Similarity NPC84164
0.7341 Intermediate Similarity NPC207283
0.7336 Intermediate Similarity NPC258048
0.7291 Intermediate Similarity NPC166722
0.728 Intermediate Similarity NPC191489
0.7269 Intermediate Similarity NPC22481
0.7254 Intermediate Similarity NPC210434
0.7247 Intermediate Similarity NPC246381
0.7246 Intermediate Similarity NPC193238
0.7244 Intermediate Similarity NPC188400
0.7243 Intermediate Similarity NPC54066
0.7241 Intermediate Similarity NPC129897
0.7235 Intermediate Similarity NPC88923
0.7235 Intermediate Similarity NPC100734
0.7235 Intermediate Similarity NPC315634
0.7218 Intermediate Similarity NPC278525
0.72 Intermediate Similarity NPC70155
0.7176 Intermediate Similarity NPC75179
0.7176 Intermediate Similarity NPC472436
0.7174 Intermediate Similarity NPC103230
0.7171 Intermediate Similarity NPC253675
0.716 Intermediate Similarity NPC473822
0.7155 Intermediate Similarity NPC470020
0.7143 Intermediate Similarity NPC470042
0.7131 Intermediate Similarity NPC96584
0.7131 Intermediate Similarity NPC255800
0.7114 Intermediate Similarity NPC122463
0.7112 Intermediate Similarity NPC109922
0.711 Intermediate Similarity NPC284685
0.7106 Intermediate Similarity NPC328559
0.7106 Intermediate Similarity NPC32451
0.7104 Intermediate Similarity NPC165964
0.7099 Intermediate Similarity NPC318068
0.7098 Intermediate Similarity NPC37473
0.7095 Intermediate Similarity NPC111732
0.7092 Intermediate Similarity NPC474192
0.7092 Intermediate Similarity NPC475720
0.709 Intermediate Similarity NPC314270
0.7088 Intermediate Similarity NPC329982
0.7074 Intermediate Similarity NPC44354

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC13603 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
0.7764 Intermediate Similarity NPD1483 Discontinued
0.7742 Intermediate Similarity NPD8468 Phase 2
0.7532 Intermediate Similarity NPD7069 Discontinued
0.7441 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD4373 Phase 2
0.7333 Intermediate Similarity NPD4989 Phase 2
0.7328 Intermediate Similarity NPD6962 Phase 2
0.7287 Intermediate Similarity NPD4952 Phase 3
0.728 Intermediate Similarity NPD7708 Approved
0.7265 Intermediate Similarity NPD3925 Approved
0.7235 Intermediate Similarity NPD7803 Approved
0.7222 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD6530 Approved
0.7214 Intermediate Similarity NPD6531 Approved
0.7194 Intermediate Similarity NPD7885 Phase 2
0.7194 Intermediate Similarity NPD7886 Phase 2
0.719 Intermediate Similarity NPD8404 Phase 2
0.719 Intermediate Similarity NPD3326 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7862 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD5482 Discontinued
0.7167 Intermediate Similarity NPD5866 Approved
0.7166 Intermediate Similarity NPD5640 Discontinued
0.7161 Intermediate Similarity NPD2831 Approved
0.7149 Intermediate Similarity NPD5022 Discontinued
0.711 Intermediate Similarity NPD7955 Approved
0.711 Intermediate Similarity NPD7956 Approved
0.7102 Intermediate Similarity NPD8479 Phase 2
0.7098 Intermediate Similarity NPD7417 Discontinued
0.7098 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.7082 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD8052 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD3006 Discontinued
0.7066 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD8465 Approved
0.7059 Intermediate Similarity NPD8467 Approved
0.7059 Intermediate Similarity NPD8466 Approved
0.7031 Intermediate Similarity NPD6790 Phase 1
0.702 Intermediate Similarity NPD6825 Phase 1
0.7018 Intermediate Similarity NPD4889 Approved
0.7018 Intermediate Similarity NPD8459 Approved
0.7018 Intermediate Similarity NPD8460 Approved
0.7017 Intermediate Similarity NPD3946 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD6716 Phase 1
0.6992 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6983 Remote Similarity NPD7927 Clinical (unspecified phase)
0.6967 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6957 Remote Similarity NPD8425 Approved
0.6957 Remote Similarity NPD8426 Approved
0.6946 Remote Similarity NPD7396 Approved
0.6943 Remote Similarity NPD8091 Phase 3
0.6942 Remote Similarity NPD6262 Clinical (unspecified phase)
0.6941 Remote Similarity NPD5891 Approved
0.6934 Remote Similarity NPD8429 Approved
0.6934 Remote Similarity NPD8427 Approved
0.6934 Remote Similarity NPD8428 Approved
0.6932 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6926 Remote Similarity NPD3794 Approved
0.6926 Remote Similarity NPD3795 Approved
0.6914 Remote Similarity NPD5450 Discontinued
0.6914 Remote Similarity NPD5805 Approved
0.691 Remote Similarity NPD3923 Approved
0.691 Remote Similarity NPD3924 Approved
0.691 Remote Similarity NPD3922 Approved
0.691 Remote Similarity NPD3921 Approved
0.6908 Remote Similarity NPD8101 Phase 3
0.6902 Remote Similarity NPD7807 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7395 Discontinued
0.688 Remote Similarity NPD6361 Phase 2
0.6875 Remote Similarity NPD6987 Phase 1
0.6873 Remote Similarity NPD3217 Phase 2
0.6865 Remote Similarity NPD4328 Approved
0.6865 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6862 Remote Similarity NPD5721 Clinical (unspecified phase)
0.685 Remote Similarity NPD5922 Phase 3
0.6844 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6838 Remote Similarity NPD8364 Approved
0.6838 Remote Similarity NPD8363 Approved
0.6832 Remote Similarity NPD6276 Discontinued
0.6828 Remote Similarity NPD6228 Discontinued
0.6825 Remote Similarity NPD7426 Phase 1
0.6815 Remote Similarity NPD1926 Approved
0.6815 Remote Similarity NPD4429 Discontinued
0.681 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6805 Remote Similarity NPD3947 Discontinued
0.68 Remote Similarity NPD6298 Discontinued
0.6797 Remote Similarity NPD6494 Phase 2
0.6797 Remote Similarity NPD7558 Phase 2
0.6794 Remote Similarity NPD8100 Phase 3
0.679 Remote Similarity NPD2509 Approved
0.679 Remote Similarity NPD2510 Approved
0.6788 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6769 Remote Similarity NPD8279 Clinical (unspecified phase)
0.6767 Remote Similarity NPD8463 Approved
0.6762 Remote Similarity NPD4506 Discontinued
0.6761 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6756 Remote Similarity NPD7967 Discontinued
0.6754 Remote Similarity NPD7169 Suspended
0.6751 Remote Similarity NPD5512 Phase 3
0.6749 Remote Similarity NPD5429 Discontinued
0.6748 Remote Similarity NPD3815 Phase 1
0.6748 Remote Similarity NPD3816 Phase 1
0.6747 Remote Similarity NPD3354 Phase 2
0.6747 Remote Similarity NPD5632 Approved
0.6745 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7853 Phase 2
0.6742 Remote Similarity NPD4369 Phase 2
0.6742 Remote Similarity NPD8102 Discontinued
0.674 Remote Similarity NPD7925 Phase 2
0.674 Remote Similarity NPD7393 Clinical (unspecified phase)
0.674 Remote Similarity NPD7924 Phase 2
0.6733 Remote Similarity NPD4923 Phase 1
0.6732 Remote Similarity NPD3259 Approved
0.6732 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7467 Discontinued
0.672 Remote Similarity NPD6770 Approved
0.6708 Remote Similarity NPD3507 Phase 2
0.6707 Remote Similarity NPD5416 Discontinued
0.6707 Remote Similarity NPD8327 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4417 Approved
0.6707 Remote Similarity NPD8325 Phase 3
0.6707 Remote Similarity NPD8326 Phase 3
0.6704 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6569 Phase 2
0.6693 Remote Similarity NPD7180 Phase 3
0.6693 Remote Similarity NPD6242 Discontinued
0.6692 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6691 Remote Similarity NPD8461 Discontinued
0.669 Remote Similarity NPD8489 Phase 1
0.668 Remote Similarity NPD7547 Clinical (unspecified phase)
0.668 Remote Similarity NPD5479 Discontinued
0.668 Remote Similarity NPD1659 Phase 1
0.6679 Remote Similarity NPD3322 Phase 1
0.6679 Remote Similarity NPD7022 Phase 2
0.6679 Remote Similarity NPD8350 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3394 Approved
0.6667 Remote Similarity NPD3389 Approved
0.6667 Remote Similarity NPD3393 Approved
0.6667 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5147 Discontinued
0.6667 Remote Similarity NPD5488 Discontinued
0.6667 Remote Similarity NPD6874 Approved
0.6653 Remote Similarity NPD6974 Phase 3
0.6653 Remote Similarity NPD6955 Clinical (unspecified phase)
0.6642 Remote Similarity NPD5867 Clinical (unspecified phase)
0.6642 Remote Similarity NPD8358 Approved
0.6642 Remote Similarity NPD7673 Phase 3
0.6641 Remote Similarity NPD6964 Approved
0.6641 Remote Similarity NPD6963 Approved
0.664 Remote Similarity NPD8356 Approved
0.6639 Remote Similarity NPD5228 Phase 3
0.6639 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6628 Remote Similarity NPD7031 Phase 1
0.6627 Remote Similarity NPD3263 Phase 3
0.6627 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6627 Remote Similarity NPD3280 Approved
0.6627 Remote Similarity NPD7707 Approved
0.6626 Remote Similarity NPD5513 Phase 2
0.6626 Remote Similarity NPD6529 Discontinued
0.6619 Remote Similarity NPD7416 Clinical (unspecified phase)
0.6617 Remote Similarity NPD8442 Discontinued
0.6614 Remote Similarity NPD6568 Discontinued
0.6614 Remote Similarity NPD2011 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6609 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5857 Phase 3
0.6604 Remote Similarity NPD7859 Phase 2
0.6603 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6603 Remote Similarity NPD8016 Phase 3
0.6603 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7994 Phase 2
0.6601 Remote Similarity NPD7907 Approved
0.6597 Remote Similarity NPD4551 Phase 2
0.6591 Remote Similarity NPD6495 Clinical (unspecified phase)
0.6587 Remote Similarity NPD3258 Approved
0.6587 Remote Similarity NPD3763 Approved
0.6584 Remote Similarity NPD5848 Clinical (unspecified phase)
0.6583 Remote Similarity NPD7053 Clinical (unspecified phase)
0.658 Remote Similarity NPD8370 Discontinued
0.6575 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6569 Remote Similarity NPD3395 Approved
0.6569 Remote Similarity NPD3396 Approved
0.6569 Remote Similarity NPD4418 Discontinued
0.6564 Remote Similarity NPD7797 Approved
0.6564 Remote Similarity NPD7796 Approved
0.656 Remote Similarity NPD5293 Phase 2
0.6557 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6541 Remote Similarity NPD8310 Clinical (unspecified phase)
0.6541 Remote Similarity NPD6460 Clinical (unspecified phase)
0.6537 Remote Similarity NPD8430 Approved
0.6537 Remote Similarity NPD4086 Phase 1
0.6535 Remote Similarity NPD7556 Discontinued
0.6534 Remote Similarity NPD5612 Discontinued
0.6532 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6532 Remote Similarity NPD5914 Approved
0.6532 Remote Similarity NPD5726 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4036 Approved

Structure

External Identifiers

PubChem CID   44583780
ChEMBL   CHEMBL524713
ZINC  

Physicochemical Properties

Molecular Weight:  873.27
ALogP:  -2.1731
MLogP:  3.66
XLogP:  2.151
# Rotatable Bonds:  24
Polar Surface Area:  286.12
# H-Bond Aceptor:  20
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  62

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Biological Activities  
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