Natural Product: NPC31034

Natural Product ID:  NPC31034
Common Name:   Pedunculagin
IUPAC Name:  
Synonyms:   Pedunculagin
Molecular Formula:   C34H24O22
Standard InCHIKey:  IYMHVUYNBVWXKH-ZITZVVOASA-N
Standard InCHI:  InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
Canonical SMILES:  OC1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)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
NPO26919 Sanguisorba officinalis Species Rosaceae Eukaryota PMID[11520216]
NPO18674 Juglans regia Species Juglandaceae Eukaryota TM-MC*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 2000 nM 11520216
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 = 2.74 ug/ml 1431932
NPT2 Others Unspecified Ratio Ki = 23 9834152
NPT2533 Individual Protein Coagulation factor X Homo sapiens IC50 = 560 nM 9834152
NPT2533 Individual Protein Coagulation factor X Homo sapiens Ki = 990 nM 9834152
NPT2534 Individual Protein Thrombin Bos taurus IC50 = 150 nM 9834152
NPT2534 Individual Protein Thrombin Bos taurus IC50 = 180 nM 9834152
NPT2534 Individual Protein Thrombin Bos taurus Ki = 42 nM 9834152
NPT32 Organism Mus musculus Mus musculus LD50 > 100 mg/kg 9834152
NPT29 Organism Rattus norvegicus Rattus norvegicus LD50 > 100 mg/kg 9834152
NPT2 Others Unspecified Activity = 80 % 2413172
NPT2 Others Unspecified Activity = 4 % 2413172
NPT2 Others Unspecified Activity = 17 % 2413172
NPT2 Others Unspecified Activity = 15 % 2413172
NPT2 Others Unspecified Activity = 51 % 2413172
NPT2 Others Unspecified Activity = 88 % 2413172
NPT2 Others Unspecified Activity = 73 % 2413172
NPT2 Others Unspecified Activity = 41 % 2413172
NPT2 Others Unspecified Activity = 7 % 2413172
NPT2 Others Unspecified Activity = 10 % 2413172
NPT2 Others Unspecified IC50 = 7800 nM 7494143
NPT2 Others Unspecified IC50 = 12000 nM 7494143
NPT1308 Tissue Blood Homo sapiens Activity = 0.2 7807126
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 58.8 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 81.1 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 14.6 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 30.9 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 14.8 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 9.4 % 20144544

  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 NPC31034 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
0.981 High Similarity NPC175793
0.975 High Similarity NPC47521
0.9748 High Similarity NPC311389
0.9748 High Similarity NPC470271
0.9627 High Similarity NPC470272
0.9625 High Similarity NPC43918
0.9625 High Similarity NPC190204
0.9625 High Similarity NPC261411
0.9623 High Similarity NPC166851
0.9623 High Similarity NPC162169
0.9563 High Similarity NPC142707
0.9563 High Similarity NPC49983
0.9563 High Similarity NPC26536
0.9563 High Similarity NPC317671
0.9503 High Similarity NPC217781
0.9497 High Similarity NPC291957
0.9497 High Similarity NPC14030
0.949 High Similarity NPC135222
0.949 High Similarity NPC474010
0.9437 High Similarity NPC470898
0.9394 High Similarity NPC472723
0.9304 High Similarity NPC239019
0.9304 High Similarity NPC247629
0.9281 High Similarity NPC80956
0.9245 High Similarity NPC238419
0.9245 High Similarity NPC172419
0.9235 High Similarity NPC237202
0.9181 High Similarity NPC269046
0.9172 High Similarity NPC129533
0.9172 High Similarity NPC123259
0.9118 High Similarity NPC231254
0.9112 High Similarity NPC8940
0.9068 High Similarity NPC210501
0.9068 High Similarity NPC114791
0.9068 High Similarity NPC141331
0.9068 High Similarity NPC318826
0.9068 High Similarity NPC104222
0.9064 High Similarity NPC111490
0.9064 High Similarity NPC261623
0.9064 High Similarity NPC469650
0.9048 High Similarity NPC297574
0.9012 High Similarity NPC65489
0.9 High Similarity NPC125352
0.8994 High Similarity NPC205037
0.8994 High Similarity NPC16024
0.8994 High Similarity NPC3746
0.8994 High Similarity NPC44260
0.8994 High Similarity NPC61152
0.8966 High Similarity NPC40078
0.8966 High Similarity NPC471091
0.8966 High Similarity NPC97924
0.896 High Similarity NPC477081
0.896 High Similarity NPC477083
0.896 High Similarity NPC173872
0.896 High Similarity NPC119094
0.8941 High Similarity NPC198902
0.8908 High Similarity NPC472721
0.8908 High Similarity NPC160543
0.8908 High Similarity NPC469652
0.8908 High Similarity NPC31208
0.8908 High Similarity NPC93065
0.8908 High Similarity NPC472724
0.8908 High Similarity NPC472720
0.8902 High Similarity NPC469649
0.8902 High Similarity NPC260521
0.8857 High Similarity NPC264302
0.8851 High Similarity NPC290289
0.8851 High Similarity NPC142291
0.8851 High Similarity NPC240200
0.8851 High Similarity NPC158214
0.8851 High Similarity NPC7839
0.8851 High Similarity NPC223534
0.8817 High Similarity NPC263119
0.8817 High Similarity NPC219600
0.8817 High Similarity NPC473550
0.8817 High Similarity NPC166674
0.8817 High Similarity NPC46640
0.8817 High Similarity NPC34436
0.881 High Similarity NPC181778
0.88 High Similarity NPC187632
0.88 High Similarity NPC201814
0.8797 High Similarity NPC120621
0.8797 High Similarity NPC248257
0.8797 High Similarity NPC142528
0.8779 High Similarity NPC208797
0.8779 High Similarity NPC53680
0.8764 High Similarity NPC189312
0.8757 High Similarity NPC476358
0.8757 High Similarity NPC477082
0.8757 High Similarity NPC65333
0.875 High Similarity NPC198125
0.875 High Similarity NPC95421
0.875 High Similarity NPC140151
0.8742 High Similarity NPC92117
0.8735 High Similarity NPC469651
0.8734 High Similarity NPC268366
0.8713 High Similarity NPC67629
0.8713 High Similarity NPC79736
0.869 High Similarity NPC473818
0.8667 High Similarity NPC24627
0.8667 High Similarity NPC174140
0.8663 High Similarity NPC267549
0.8655 High Similarity NPC171706
0.865 High Similarity NPC203757
0.8647 High Similarity NPC100251
0.8639 High Similarity NPC149300
0.8623 High Similarity NPC121290
0.8621 High Similarity NPC297503
0.8621 High Similarity NPC97119
0.8621 High Similarity NPC135831
0.8598 High Similarity NPC300845
0.8598 High Similarity NPC291948
0.8598 High Similarity NPC134925
0.8598 High Similarity NPC88803
0.8598 High Similarity NPC104983
0.8598 High Similarity NPC250436
0.8596 High Similarity NPC98583
0.858 High Similarity NPC105591
0.8556 High Similarity NPC3474
0.8554 High Similarity NPC24164
0.8554 High Similarity NPC289346
0.8545 High Similarity NPC114179
0.8545 High Similarity NPC68324
0.8545 High Similarity NPC257309
0.8545 High Similarity NPC156818
0.8545 High Similarity NPC160512
0.8545 High Similarity NPC289322
0.8545 High Similarity NPC38779
0.8544 High Similarity NPC226738
0.8544 High Similarity NPC229036
0.8544 High Similarity NPC190587
0.8544 High Similarity NPC22176
0.8544 High Similarity NPC121573
0.8538 High Similarity NPC47140
0.8538 High Similarity NPC38438
0.8538 High Similarity NPC67134
0.8529 High Similarity NPC197708
0.8529 High Similarity NPC658
0.8519 High Similarity NPC252979
0.8514 High Similarity NPC132111
0.8509 High Similarity NPC75945
0.8506 High Similarity NPC471030
0.8503 High Similarity NPC266365
0.8497 Intermediate Similarity NPC473713
0.8494 Intermediate Similarity NPC87317
0.8491 Intermediate Similarity NPC108455
0.8488 Intermediate Similarity NPC88560
0.8488 Intermediate Similarity NPC172033
0.8488 Intermediate Similarity NPC175230
0.8485 Intermediate Similarity NPC318432
0.848 Intermediate Similarity NPC149011
0.848 Intermediate Similarity NPC204937
0.8476 Intermediate Similarity NPC116850
0.8476 Intermediate Similarity NPC197188
0.8476 Intermediate Similarity NPC291510
0.8476 Intermediate Similarity NPC43872
0.8476 Intermediate Similarity NPC238672
0.8476 Intermediate Similarity NPC144801
0.8475 Intermediate Similarity NPC179947
0.8475 Intermediate Similarity NPC269625
0.8457 Intermediate Similarity NPC170203
0.8457 Intermediate Similarity NPC469371
0.8452 Intermediate Similarity NPC4013
0.8452 Intermediate Similarity NPC90905
0.8452 Intermediate Similarity NPC476372
0.8452 Intermediate Similarity NPC476371
0.8452 Intermediate Similarity NPC33298
0.8452 Intermediate Similarity NPC285108
0.8448 Intermediate Similarity NPC196127
0.8448 Intermediate Similarity NPC476620
0.8448 Intermediate Similarity NPC258044
0.8448 Intermediate Similarity NPC37668
0.8448 Intermediate Similarity NPC476621
0.8448 Intermediate Similarity NPC267680
0.8448 Intermediate Similarity NPC476622
0.8448 Intermediate Similarity NPC476619
0.8448 Intermediate Similarity NPC293626
0.8448 Intermediate Similarity NPC113836
0.8448 Intermediate Similarity NPC476618
0.8448 Intermediate Similarity NPC253521
0.8448 Intermediate Similarity NPC217387
0.8448 Intermediate Similarity NPC476623
0.8447 Intermediate Similarity NPC81835
0.8443 Intermediate Similarity NPC53889
0.8434 Intermediate Similarity NPC472860
0.843 Intermediate Similarity NPC5786
0.843 Intermediate Similarity NPC102851
0.8427 Intermediate Similarity NPC473618
0.8424 Intermediate Similarity NPC172920
0.8424 Intermediate Similarity NPC156624
0.8424 Intermediate Similarity NPC472835
0.8418 Intermediate Similarity NPC104910
0.8418 Intermediate Similarity NPC112380
0.8418 Intermediate Similarity NPC474093
0.8402 Intermediate Similarity NPC67959
0.84 Intermediate Similarity NPC472726
0.84 Intermediate Similarity NPC472725
0.8391 Intermediate Similarity NPC61904
0.8391 Intermediate Similarity NPC472992
0.8391 Intermediate Similarity NPC472991

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC31034 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
0.8647 High Similarity NPD7993 Clinical (unspecified phase)
0.8598 High Similarity NPD4868 Clinical (unspecified phase)
0.8253 Intermediate Similarity NPD1465 Phase 2
0.8103 Intermediate Similarity NPD5844 Phase 1
0.8057 Intermediate Similarity NPD7472 Approved
0.8057 Intermediate Similarity NPD7074 Phase 3
0.8046 Intermediate Similarity NPD7228 Approved
0.8046 Intermediate Similarity NPD3818 Discontinued
0.8023 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD6797 Phase 2
0.8 Intermediate Similarity NPD7054 Approved
0.7978 Intermediate Similarity NPD8313 Approved
0.7978 Intermediate Similarity NPD8312 Approved
0.7966 Intermediate Similarity NPD7251 Discontinued
0.7956 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD6166 Phase 2
0.7931 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7921 Intermediate Similarity NPD7808 Phase 3
0.7919 Intermediate Similarity NPD6232 Discontinued
0.7906 Intermediate Similarity NPD8151 Discontinued
0.7895 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD6959 Discontinued
0.7849 Intermediate Similarity NPD6234 Discontinued
0.7824 Intermediate Similarity NPD8455 Phase 2
0.7805 Intermediate Similarity NPD6190 Approved
0.7799 Intermediate Similarity NPD230 Phase 1
0.7784 Intermediate Similarity NPD7473 Discontinued
0.7765 Intermediate Similarity NPD37 Approved
0.7733 Intermediate Similarity NPD4965 Approved
0.7733 Intermediate Similarity NPD4966 Approved
0.7733 Intermediate Similarity NPD4967 Phase 2
0.7669 Intermediate Similarity NPD7266 Discontinued
0.7667 Intermediate Similarity NPD7240 Approved
0.7667 Intermediate Similarity NPD7685 Pre-registration
0.7661 Intermediate Similarity NPD1934 Approved
0.7657 Intermediate Similarity NPD7199 Phase 2
0.7647 Intermediate Similarity NPD4380 Phase 2
0.7627 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD6559 Discontinued
0.7514 Intermediate Similarity NPD7819 Suspended
0.75 Intermediate Similarity NPD7390 Discontinued
0.7486 Intermediate Similarity NPD3749 Approved
0.7472 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD8150 Discontinued
0.7456 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD3751 Discontinued
0.7429 Intermediate Similarity NPD7768 Phase 2
0.7427 Intermediate Similarity NPD1653 Approved
0.7423 Intermediate Similarity NPD8320 Phase 1
0.7423 Intermediate Similarity NPD8319 Approved
0.7416 Intermediate Similarity NPD3787 Discontinued
0.7414 Intermediate Similarity NPD2801 Approved
0.7407 Intermediate Similarity NPD6535 Approved
0.7407 Intermediate Similarity NPD6534 Approved
0.7386 Intermediate Similarity NPD7075 Discontinued
0.7382 Intermediate Similarity NPD7699 Phase 2
0.7382 Intermediate Similarity NPD7700 Phase 2
0.7371 Intermediate Similarity NPD3817 Phase 2
0.7371 Intermediate Similarity NPD7435 Discontinued
0.733 Intermediate Similarity NPD3882 Suspended
0.7321 Intermediate Similarity NPD3750 Approved
0.7306 Intermediate Similarity NPD6781 Approved
0.7306 Intermediate Similarity NPD6779 Approved
0.7306 Intermediate Similarity NPD6782 Approved
0.7306 Intermediate Similarity NPD6777 Approved
0.7306 Intermediate Similarity NPD6776 Approved
0.7306 Intermediate Similarity NPD6780 Approved
0.7306 Intermediate Similarity NPD6778 Approved
0.7301 Intermediate Similarity NPD943 Approved
0.7299 Intermediate Similarity NPD7411 Suspended
0.7294 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD1511 Approved
0.7289 Intermediate Similarity NPD5408 Approved
0.7289 Intermediate Similarity NPD5404 Approved
0.7289 Intermediate Similarity NPD5405 Approved
0.7289 Intermediate Similarity NPD5406 Approved
0.7286 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD7783 Phase 2
0.7284 Intermediate Similarity NPD3764 Approved
0.7282 Intermediate Similarity NPD7680 Approved
0.7273 Intermediate Similarity NPD5402 Approved
0.7273 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD6801 Discontinued
0.7254 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7870 Phase 2
0.7245 Intermediate Similarity NPD7871 Phase 2
0.7236 Intermediate Similarity NPD7874 Approved
0.7236 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD8166 Discontinued
0.7216 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD9269 Phase 2
0.7209 Intermediate Similarity NPD1512 Approved
0.7207 Intermediate Similarity NPD5494 Approved
0.7202 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD7698 Approved
0.7194 Intermediate Similarity NPD7697 Approved
0.7194 Intermediate Similarity NPD7696 Phase 3
0.7184 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD6212 Phase 3
0.7173 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD6213 Phase 3
0.7151 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD2534 Approved
0.7151 Intermediate Similarity NPD2532 Approved
0.7151 Intermediate Similarity NPD2533 Approved
0.7136 Intermediate Similarity NPD7701 Phase 2
0.7126 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD4628 Phase 3
0.7101 Intermediate Similarity NPD1549 Phase 2
0.7091 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD1613 Approved
0.7086 Intermediate Similarity NPD7458 Discontinued
0.7069 Intermediate Similarity NPD5403 Approved
0.7056 Intermediate Similarity NPD6823 Phase 2
0.7041 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7801 Approved
0.7024 Intermediate Similarity NPD1510 Phase 2
0.7024 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3748 Approved
0.6994 Remote Similarity NPD6799 Approved
0.6971 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6962 Remote Similarity NPD9268 Approved
0.6959 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5401 Approved
0.6954 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6599 Discontinued
0.6919 Remote Similarity NPD7003 Approved
0.6909 Remote Similarity NPD3027 Phase 3
0.6895 Remote Similarity NPD7090 Clinical (unspecified phase)
0.689 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6885 Remote Similarity NPD8127 Discontinued
0.6866 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6848 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7229 Phase 3
0.6823 Remote Similarity NPD8434 Phase 2
0.6821 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6811 Remote Similarity NPD3926 Phase 2
0.6811 Remote Similarity NPD5242 Approved
0.6798 Remote Similarity NPD3226 Approved
0.6796 Remote Similarity NPD5353 Approved
0.6791 Remote Similarity NPD7177 Discontinued
0.6786 Remote Similarity NPD1240 Approved
0.6784 Remote Similarity NPD2796 Approved
0.6784 Remote Similarity NPD2935 Discontinued
0.6766 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6674 Discontinued
0.6757 Remote Similarity NPD5710 Approved
0.6757 Remote Similarity NPD5711 Approved
0.6724 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6273 Approved
0.6717 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6716 Remote Similarity NPD7585 Approved
0.6706 Remote Similarity NPD1607 Approved
0.6704 Remote Similarity NPD3455 Phase 2
0.6687 Remote Similarity NPD9545 Approved
0.6686 Remote Similarity NPD1551 Phase 2
0.6685 Remote Similarity NPD919 Approved
0.6683 Remote Similarity NPD7930 Approved
0.6667 Remote Similarity NPD7583 Approved
0.6667 Remote Similarity NPD4287 Approved
0.6647 Remote Similarity NPD4908 Phase 1
0.6617 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6615 Remote Similarity NPD7549 Discontinued
0.6612 Remote Similarity NPD4288 Approved
0.6592 Remote Similarity NPD920 Approved
0.659 Remote Similarity NPD6099 Approved
0.659 Remote Similarity NPD6100 Approved
0.6589 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6587 Remote Similarity NPD9494 Approved
0.6585 Remote Similarity NPD7584 Approved
0.6579 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6574 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6574 Remote Similarity NPD8059 Phase 3
0.6573 Remote Similarity NPD4160 Clinical (unspecified phase)
0.657 Remote Similarity NPD4978 Clinical (unspecified phase)
0.657 Remote Similarity NPD7097 Phase 1
0.6568 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6568 Remote Similarity NPD6798 Discontinued
0.6566 Remote Similarity NPD1470 Approved
0.6552 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6552 Remote Similarity NPD2346 Discontinued
0.6552 Remote Similarity NPD5006 Approved
0.6552 Remote Similarity NPD5005 Approved
0.655 Remote Similarity NPD1933 Approved
0.655 Remote Similarity NPD447 Suspended
0.6538 Remote Similarity NPD6385 Approved
0.6538 Remote Similarity NPD6386 Approved
0.6537 Remote Similarity NPD7999 Approved
0.6526 Remote Similarity NPD7799 Discontinued
0.6524 Remote Similarity NPD1247 Approved
0.651 Remote Similarity NPD5953 Discontinued
0.6509 Remote Similarity NPD5952 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   442688
ChEMBL   CHEMBL506204
ZINC  

Physicochemical Properties

Molecular Weight:  784.08
ALogP:  -6.5602
MLogP:  2.78
XLogP:  -1.789
# Rotatable Bonds:  13
Polar Surface Area:  377.42
# H-Bond Aceptor:  10
# H-Bond Donor:  13
# Rings:  7
# Heavy Atoms:  56

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