Natural Product: NPC275690

Natural Product ID:  NPC275690
Common Name:   4-O-[Beta-D-Glucopyranosyl(1->2)-3'', 4''-Di-O-Methyl-Beta-D-Xylopyranosyl]-Diphyllin
IUPAC Name:   9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms:  
Molecular Formula:   C34H38O16
Standard InCHIKey:  JBVKVMLXAUHJEJ-LXOHQACASA-N
Standard InCHI:  InChI=1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)49-34-31(30(43-4)23(42-3)12-45-34)50-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3/t22-,23-,26-,27+,28-,30+,31-,33+,34+/m1/s1
Canonical SMILES:  CO[C@@H]1CO[C@H]([C@@H]([C@H]1OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Oc1c2COC(=O)c2c(c2c1cc(OC)c(c2)OC)c1ccc2c(c1)OCO2
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
NPO28953 Guatteria scandens Species Annonaceae Eukaryota UNPD*
NPO28713 Psoroma allorhizum Species Pannariaceae Eukaryota UNPD*
NPO29265 Melodinus balansae Species Apocynaceae Eukaryota UNPD*
NPO29091 Delisea fimbriata Species Bonnemaisoniaceae Eukaryota UNPD*
NPO29088 Nerine masonorum Species Amaryllidaceae Eukaryota UNPD*
NPO28848 Selinum decipiens Species Apiaceae Eukaryota UNPD*
NPO6047 Dictyota spiralis Species Dictyotaceae Eukaryota UNPD*
NPO27998 Millettia puguensis Species Fabaceae Eukaryota UNPD*
NPO28592 Streptomyces catenulae Species Streptomycetaceae Bacteria UNPD*
NPO27538 Hemsleya macrosperma Species Cucurbitaceae Eukaryota UNPD*
NPO24195 Stylissa carteri Species Axinellidae Eukaryota UNPD*
NPO4806 Clausena wallichii Species Rutaceae Eukaryota UNPD*
NPO19527 Citropsis gabunensis Species Rutaceae Eukaryota UNPD*
NPO28817 Plakortis zyggompha Species Plakinidae Eukaryota UNPD*
NPO28401 Phyllanthus taxodiifolius Species Phyllanthaceae Eukaryota UNPD*
NPO25690 Doronicum pardalianches Species Asteraceae Eukaryota UNPD*
NPO29136 Heckeria umbellata NA NA NA UNPD*
NPO23970 Heliomeris obscura Species Asteraceae Eukaryota UNPD*
NPO29163 Guettarda trimera Species Rubiaceae Eukaryota UNPD*
NPO28054 Uvaria rugosa Species Annonaceae Eukaryota UNPD*
NPO29244 Parmelia flavescentireagens Species Parmeliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 200 nM 24929344
NPT165 Cell Line HeLa Homo sapiens IC50 > 200 nM 24929344
NPT65 Cell Line HepG2 Homo sapiens IC50 > 200 nM 24929344
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 200 nM 24929344
NPT75 Cell Line U251 Homo sapiens IC50 > 200 nM 24929344

  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 NPC275690 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
1.0 High Similarity NPC161609
0.9821 High Similarity NPC114120
0.9821 High Similarity NPC167045
0.9706 High Similarity NPC313063
0.9706 High Similarity NPC286301
0.9697 High Similarity NPC471922
0.9697 High Similarity NPC474075
0.9697 High Similarity NPC114550
0.9697 High Similarity NPC312006
0.9697 High Similarity NPC471921
0.9697 High Similarity NPC471920
0.9697 High Similarity NPC473697
0.9697 High Similarity NPC292712
0.9697 High Similarity NPC20114
0.9697 High Similarity NPC129930
0.9583 High Similarity NPC35266
0.9515 High Similarity NPC475453
0.9515 High Similarity NPC473531
0.9455 High Similarity NPC471923
0.9405 High Similarity NPC184624
0.9349 High Similarity NPC193377
0.9286 High Similarity NPC52598
0.9042 High Similarity NPC116838
0.9042 High Similarity NPC22130
0.8994 High Similarity NPC306475
0.897 High Similarity NPC239113
0.897 High Similarity NPC115123
0.8953 High Similarity NPC316539
0.8935 High Similarity NPC222531
0.8914 High Similarity NPC208797
0.8914 High Similarity NPC53680
0.8889 High Similarity NPC117911
0.8889 High Similarity NPC476358
0.8882 High Similarity NPC474042
0.8882 High Similarity NPC174734
0.8864 High Similarity NPC476203
0.8851 High Similarity NPC67629
0.8851 High Similarity NPC79736
0.8837 High Similarity NPC179240
0.8817 High Similarity NPC198796
0.881 High Similarity NPC78944
0.8802 High Similarity NPC19600
0.88 High Similarity NPC267549
0.8786 High Similarity NPC38438
0.8778 High Similarity NPC264302
0.8765 High Similarity NPC17432
0.8764 High Similarity NPC241847
0.8757 High Similarity NPC100465
0.8757 High Similarity NPC115624
0.8757 High Similarity NPC152424
0.875 High Similarity NPC474043
0.8743 High Similarity NPC196771
0.8743 High Similarity NPC297574
0.8721 High Similarity NPC185498
0.8693 High Similarity NPC47191
0.869 High Similarity NPC143328
0.8667 High Similarity NPC205721
0.8659 High Similarity NPC87583
0.8655 High Similarity NPC25889
0.8652 High Similarity NPC123259
0.8652 High Similarity NPC129533
0.8647 High Similarity NPC15212
0.8644 High Similarity NPC80956
0.8636 High Similarity NPC76112
0.8636 High Similarity NPC170018
0.8636 High Similarity NPC472723
0.8636 High Similarity NPC66820
0.8636 High Similarity NPC92403
0.8629 High Similarity NPC199357
0.8621 High Similarity NPC135370
0.8614 High Similarity NPC474442
0.8613 High Similarity NPC79322
0.8613 High Similarity NPC298847
0.8611 High Similarity NPC105591
0.8606 High Similarity NPC475722
0.8596 High Similarity NPC470453
0.8596 High Similarity NPC470448
0.8596 High Similarity NPC246024
0.8596 High Similarity NPC164047
0.8596 High Similarity NPC477860
0.8596 High Similarity NPC22324
0.8596 High Similarity NPC475161
0.8596 High Similarity NPC470452
0.858 High Similarity NPC63105
0.858 High Similarity NPC146803
0.8571 High Similarity NPC234730
0.8564 High Similarity NPC269046
0.8563 High Similarity NPC197708
0.8563 High Similarity NPC658
0.8556 High Similarity NPC221140
0.8556 High Similarity NPC229817
0.8556 High Similarity NPC475352
0.8556 High Similarity NPC473686
0.8556 High Similarity NPC475220
0.8555 High Similarity NPC83049
0.8555 High Similarity NPC118162
0.8555 High Similarity NPC320471
0.8547 High Similarity NPC121290
0.8547 High Similarity NPC14294
0.8547 High Similarity NPC116759
0.8539 High Similarity NPC84494
0.8539 High Similarity NPC245059
0.8533 High Similarity NPC314687
0.8531 High Similarity NPC289876
0.8531 High Similarity NPC469397
0.8529 High Similarity NPC478269
0.8529 High Similarity NPC241600
0.8529 High Similarity NPC173726
0.8523 High Similarity NPC166674
0.8523 High Similarity NPC263119
0.8523 High Similarity NPC473550
0.8523 High Similarity NPC203751
0.8523 High Similarity NPC46640
0.8523 High Similarity NPC219600
0.8523 High Similarity NPC34436
0.8521 High Similarity NPC109765
0.8516 High Similarity NPC31208
0.8516 High Similarity NPC93065
0.8516 High Similarity NPC472720
0.8516 High Similarity NPC472721
0.8516 High Similarity NPC469652
0.8516 High Similarity NPC472724
0.8516 High Similarity NPC160543
0.8514 High Similarity NPC313304
0.8512 High Similarity NPC54179
0.8508 High Similarity NPC65489
0.8508 High Similarity NPC237202
0.85 High Similarity NPC231254
0.8497 Intermediate Similarity NPC178281
0.8497 Intermediate Similarity NPC99216
0.8495 Intermediate Similarity NPC174140
0.8494 Intermediate Similarity NPC158635
0.8494 Intermediate Similarity NPC229882
0.8492 Intermediate Similarity NPC197357
0.8492 Intermediate Similarity NPC8940
0.8492 Intermediate Similarity NPC188217
0.8492 Intermediate Similarity NPC85316
0.8492 Intermediate Similarity NPC469371
0.8483 Intermediate Similarity NPC241196
0.848 Intermediate Similarity NPC96593
0.848 Intermediate Similarity NPC119910
0.8475 Intermediate Similarity NPC186800
0.8475 Intermediate Similarity NPC470667
0.8475 Intermediate Similarity NPC473630
0.8471 Intermediate Similarity NPC202495
0.8471 Intermediate Similarity NPC207584
0.8471 Intermediate Similarity NPC19947
0.8466 Intermediate Similarity NPC5786
0.8466 Intermediate Similarity NPC102851
0.8462 Intermediate Similarity NPC290289
0.8462 Intermediate Similarity NPC7839
0.8462 Intermediate Similarity NPC240200
0.8462 Intermediate Similarity NPC119094
0.8462 Intermediate Similarity NPC223534
0.8462 Intermediate Similarity NPC473618
0.8462 Intermediate Similarity NPC142291
0.8462 Intermediate Similarity NPC158214
0.8462 Intermediate Similarity NPC173872
0.8457 Intermediate Similarity NPC473202
0.8453 Intermediate Similarity NPC261623
0.8453 Intermediate Similarity NPC111490
0.8444 Intermediate Similarity NPC473883
0.8444 Intermediate Similarity NPC473717
0.8444 Intermediate Similarity NPC293227
0.8444 Intermediate Similarity NPC35924
0.8444 Intermediate Similarity NPC199172
0.8444 Intermediate Similarity NPC473631
0.8444 Intermediate Similarity NPC473776
0.8444 Intermediate Similarity NPC475662
0.8444 Intermediate Similarity NPC473205
0.8436 Intermediate Similarity NPC114257
0.8436 Intermediate Similarity NPC299149
0.8436 Intermediate Similarity NPC212290
0.8436 Intermediate Similarity NPC277710
0.8436 Intermediate Similarity NPC58538
0.8436 Intermediate Similarity NPC153578
0.8436 Intermediate Similarity NPC472725
0.8436 Intermediate Similarity NPC472726
0.8434 Intermediate Similarity NPC127827
0.843 Intermediate Similarity NPC149873
0.843 Intermediate Similarity NPC288149
0.843 Intermediate Similarity NPC191352
0.843 Intermediate Similarity NPC7191
0.843 Intermediate Similarity NPC258322
0.843 Intermediate Similarity NPC319749
0.843 Intermediate Similarity NPC478267
0.843 Intermediate Similarity NPC216916
0.8427 Intermediate Similarity NPC102053
0.8427 Intermediate Similarity NPC473713
0.8427 Intermediate Similarity NPC312630
0.8427 Intermediate Similarity NPC475246
0.8427 Intermediate Similarity NPC324220
0.8427 Intermediate Similarity NPC46958
0.8427 Intermediate Similarity NPC475054
0.8421 Intermediate Similarity NPC125713
0.8418 Intermediate Similarity NPC213052
0.8418 Intermediate Similarity NPC85368
0.8415 Intermediate Similarity NPC187632
0.8415 Intermediate Similarity NPC314672
0.8412 Intermediate Similarity NPC228357

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275690 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
0.8721 High Similarity NPD7228 Approved
0.8636 High Similarity NPD8312 Approved
0.8636 High Similarity NPD8313 Approved
0.8629 High Similarity NPD7240 Approved
0.8623 High Similarity NPD8455 Phase 2
0.8457 Intermediate Similarity NPD5844 Phase 1
0.8412 Intermediate Similarity NPD4965 Approved
0.8412 Intermediate Similarity NPD4966 Approved
0.8412 Intermediate Similarity NPD4967 Phase 2
0.8314 Intermediate Similarity NPD6234 Discontinued
0.8297 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD37 Approved
0.8218 Intermediate Similarity NPD7199 Phase 2
0.8212 Intermediate Similarity NPD6559 Discontinued
0.8202 Intermediate Similarity NPD7472 Approved
0.8202 Intermediate Similarity NPD7074 Phase 3
0.8167 Intermediate Similarity NPD7808 Phase 3
0.8146 Intermediate Similarity NPD7054 Approved
0.8108 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8068 Intermediate Similarity NPD6232 Discontinued
0.8034 Intermediate Similarity NPD7473 Discontinued
0.8033 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD7251 Discontinued
0.7989 Intermediate Similarity NPD3818 Discontinued
0.7989 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7969 Intermediate Similarity NPD7680 Approved
0.7959 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD7783 Phase 2
0.7956 Intermediate Similarity NPD6797 Phase 2
0.7956 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD6674 Discontinued
0.7949 Intermediate Similarity NPD8151 Discontinued
0.7944 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD6166 Phase 2
0.7877 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD7685 Pre-registration
0.7809 Intermediate Similarity NPD6959 Discontinued
0.7771 Intermediate Similarity NPD1465 Phase 2
0.7771 Intermediate Similarity NPD7819 Suspended
0.7753 Intermediate Similarity NPD5494 Approved
0.7733 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7709 Intermediate Similarity NPD8127 Discontinued
0.764 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD7435 Discontinued
0.7571 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD7458 Discontinued
0.7528 Intermediate Similarity NPD3817 Phase 2
0.7515 Intermediate Similarity NPD7266 Discontinued
0.7514 Intermediate Similarity NPD1934 Approved
0.7513 Intermediate Similarity NPD7698 Approved
0.7513 Intermediate Similarity NPD7696 Phase 3
0.7513 Intermediate Similarity NPD7697 Approved
0.7486 Intermediate Similarity NPD7768 Phase 2
0.7485 Intermediate Similarity NPD4628 Phase 3
0.7475 Intermediate Similarity NPD7871 Phase 2
0.7475 Intermediate Similarity NPD7870 Phase 2
0.7473 Intermediate Similarity NPD3787 Discontinued
0.7472 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD7874 Approved
0.7463 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD6823 Phase 2
0.745 Intermediate Similarity NPD7701 Phase 2
0.7449 Intermediate Similarity NPD6778 Approved
0.7449 Intermediate Similarity NPD6780 Approved
0.7449 Intermediate Similarity NPD6782 Approved
0.7449 Intermediate Similarity NPD6781 Approved
0.7449 Intermediate Similarity NPD6776 Approved
0.7449 Intermediate Similarity NPD6777 Approved
0.7449 Intermediate Similarity NPD6779 Approved
0.7444 Intermediate Similarity NPD7075 Discontinued
0.7443 Intermediate Similarity NPD3226 Approved
0.7437 Intermediate Similarity NPD7999 Approved
0.743 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD8150 Discontinued
0.7412 Intermediate Similarity NPD2346 Discontinued
0.7407 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD3751 Discontinued
0.7391 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD8320 Phase 1
0.7387 Intermediate Similarity NPD8319 Approved
0.7386 Intermediate Similarity NPD1653 Approved
0.7384 Intermediate Similarity NPD7003 Approved
0.7377 Intermediate Similarity NPD7229 Phase 3
0.7371 Intermediate Similarity NPD6273 Approved
0.736 Intermediate Similarity NPD7411 Suspended
0.7347 Intermediate Similarity NPD7700 Phase 2
0.7347 Intermediate Similarity NPD7699 Phase 2
0.733 Intermediate Similarity NPD8434 Phase 2
0.7326 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD2533 Approved
0.7314 Intermediate Similarity NPD2534 Approved
0.7314 Intermediate Similarity NPD2532 Approved
0.7303 Intermediate Similarity NPD4380 Phase 2
0.7293 Intermediate Similarity NPD3882 Suspended
0.7278 Intermediate Similarity NPD2801 Approved
0.7259 Intermediate Similarity NPD4420 Approved
0.7255 Intermediate Similarity NPD7801 Approved
0.7253 Intermediate Similarity NPD3749 Approved
0.7238 Intermediate Similarity NPD5402 Approved
0.7235 Intermediate Similarity NPD7097 Phase 1
0.7233 Intermediate Similarity NPD7930 Approved
0.7222 Intermediate Similarity NPD6801 Discontinued
0.7219 Intermediate Similarity NPD1933 Approved
0.7216 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD6534 Approved
0.7194 Intermediate Similarity NPD6535 Approved
0.719 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3750 Approved
0.7151 Intermediate Similarity NPD2438 Suspended
0.7143 Intermediate Similarity NPD6798 Discontinued
0.7128 Intermediate Similarity NPD7177 Discontinued
0.7126 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD919 Approved
0.7118 Intermediate Similarity NPD6355 Discontinued
0.7114 Intermediate Similarity NPD5005 Approved
0.7114 Intermediate Similarity NPD5006 Approved
0.7111 Intermediate Similarity NPD6599 Discontinued
0.7111 Intermediate Similarity NPD7028 Phase 2
0.711 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD3748 Approved
0.7068 Intermediate Similarity NPD7039 Approved
0.7068 Intermediate Similarity NPD7038 Approved
0.7059 Intermediate Similarity NPD3926 Phase 2
0.7056 Intermediate Similarity NPD6213 Phase 3
0.7056 Intermediate Similarity NPD6212 Phase 3
0.7056 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD5406 Approved
0.7052 Intermediate Similarity NPD5404 Approved
0.7052 Intermediate Similarity NPD2935 Discontinued
0.7052 Intermediate Similarity NPD5408 Approved
0.7052 Intermediate Similarity NPD5405 Approved
0.7041 Intermediate Similarity NPD3764 Approved
0.7039 Intermediate Similarity NPD5403 Approved
0.7022 Intermediate Similarity NPD5401 Approved
0.7018 Intermediate Similarity NPD447 Suspended
0.7011 Intermediate Similarity NPD5763 Approved
0.7011 Intermediate Similarity NPD5762 Approved
0.7 Intermediate Similarity NPD6233 Phase 2
0.6994 Remote Similarity NPD2799 Discontinued
0.6989 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4110 Phase 3
0.6989 Remote Similarity NPD8166 Discontinued
0.6988 Remote Similarity NPD1283 Approved
0.6982 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6966 Remote Similarity NPD1511 Approved
0.6966 Remote Similarity NPD6799 Approved
0.6965 Remote Similarity NPD8285 Discontinued
0.6959 Remote Similarity NPD2979 Phase 3
0.6959 Remote Similarity NPD1613 Approved
0.6959 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6959 Remote Similarity NPD4060 Phase 1
0.6952 Remote Similarity NPD1247 Approved
0.6949 Remote Similarity NPD6190 Approved
0.6947 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6947 Remote Similarity NPD7799 Discontinued
0.6941 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6941 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6927 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6915 Remote Similarity NPD5710 Approved
0.6915 Remote Similarity NPD5711 Approved
0.6914 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6005 Phase 3
0.6914 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6004 Phase 3
0.6914 Remote Similarity NPD6002 Phase 3
0.6909 Remote Similarity NPD3705 Approved
0.6893 Remote Similarity NPD7583 Approved
0.6889 Remote Similarity NPD1512 Approved
0.6885 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2424 Discontinued
0.6872 Remote Similarity NPD7390 Discontinued
0.6866 Remote Similarity NPD8059 Phase 3
0.6866 Remote Similarity NPD8058 Clinical (unspecified phase)
0.686 Remote Similarity NPD7585 Approved
0.6851 Remote Similarity NPD920 Approved
0.6842 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7985 Registered
0.6842 Remote Similarity NPD2313 Discontinued
0.6824 Remote Similarity NPD6832 Phase 2
0.6818 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6816 Remote Similarity NPD5058 Phase 3
0.6811 Remote Similarity NPD5761 Phase 2
0.6811 Remote Similarity NPD5760 Phase 2
0.6807 Remote Similarity NPD1091 Approved
0.6807 Remote Similarity NPD1281 Approved
0.6802 Remote Similarity NPD8032 Phase 2
0.68 Remote Similarity NPD4308 Phase 3
0.6798 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6793 Remote Similarity NPD6386 Approved

Structure

External Identifiers

PubChem CID   158941
ChEMBL   CHEMBL3298958
ZINC  

Physicochemical Properties

Molecular Weight:  702.22
ALogP:  -3.1122
MLogP:  3.44
XLogP:  0.224
# Rotatable Bonds:  18
Polar Surface Area:  199.52
# H-Bond Aceptor:  11
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  50

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Biological Activities  
Similar NPs/Drugs