Natural Product: NPC111490

Natural Product ID:  NPC111490
Common Name:   Mallotinic Acid
IUPAC Name:  
Synonyms:   Mallotinic Acid
Molecular Formula:   C34H26O23
Standard InCHIKey:  AJIFASHLGBHDDS-GEFDNOIESA-N
Standard InCHI:  InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1
Canonical SMILES:  O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(Oc1c(cc(c(c1O)O)O)C(=O)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
NPO11453 Centaurea cadmea Species Asteraceae Eukaryota UNPD*
NPO27007 Cunonia macrophylla Species Cunoniaceae Eukaryota New Caledonia PMID[15652581]
NPO16102 Senecio chinensis Species Asteraceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO8606 Mallotus repandus Species Euphorbiaceae Eukaryota UNPD*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO15984 Blainvillea rhomboidea Species Asteraceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO14435 Mnium hornum Species Mniaceae Eukaryota UNPD*
NPO11429 Matricaria parthenium Species Asteraceae Eukaryota UNPD*
NPO16775 Thermopsis lanceolata Species Fabaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO13047 Epipolasis kushimotoensis Species Axinellidae Eukaryota UNPD*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO4754 Yucca flexilis Species Asparagaceae Eukaryota UNPD*
NPO13938 Plantago alpina Species Plantaginaceae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO12393 Xanthoparmelia subincerta Species Parmeliaceae Eukaryota UNPD*
NPO7720 Cyathocline purpurea Species Asteraceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO642 Artemisia bigelovii Species Asteraceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO16207 Acacia glaucescens Species Fabaceae Eukaryota UNPD*
NPO27015 Valeriana hardwickii Species Caprifoliaceae Eukaryota UNPD*
NPO15300 Bipolaris zeicola Species Pleosporaceae Eukaryota UNPD*
NPO10884 Glycyrrhiza squamulosa Species Fabaceae Eukaryota UNPD*
NPO16699 Agave utahensis Species Asparagaceae Eukaryota UNPD*
NPO11633 Kelletia kelletii Species Buccinidae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota PMID[11520216]
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO29801 Mallotus philippinensis Species Salangidae Eukaryota PMID[11520216]
NPO12218 Pulicaria wightiana Species Asteraceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*

  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 = 8000 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 > 10 ug/ml 1431932
NPT2 Others Unspecified IC50 > 100000 nM 15652581
NPT20 Organism Candida albicans Candida albicans IZ = 9 mm 15652581
NPT1285 Organism Corynebacterium accolens Corynebacterium accolens IZ = 9 mm 15652581
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 9 mm 15652581
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum IZ = 13 mm 15652581

  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 NPC111490 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 NPC261623
0.9882 High Similarity NPC469650
0.9826 High Similarity NPC31208
0.9826 High Similarity NPC93065
0.9826 High Similarity NPC472721
0.9826 High Similarity NPC160543
0.9826 High Similarity NPC469652
0.9826 High Similarity NPC472724
0.9826 High Similarity NPC472720
0.9825 High Similarity NPC260521
0.9825 High Similarity NPC469649
0.9767 High Similarity NPC240200
0.9767 High Similarity NPC158214
0.9767 High Similarity NPC477083
0.9767 High Similarity NPC477081
0.9767 High Similarity NPC223534
0.9767 High Similarity NPC290289
0.9711 High Similarity NPC187632
0.9708 High Similarity NPC231254
0.9655 High Similarity NPC97924
0.9655 High Similarity NPC40078
0.9655 High Similarity NPC471091
0.9647 High Similarity NPC80956
0.9595 High Similarity NPC65489
0.9591 High Similarity NPC8940
0.9545 High Similarity NPC477082
0.9529 High Similarity NPC472723
0.9438 High Similarity NPC3474
0.9438 High Similarity NPC189312
0.9432 High Similarity NPC264302
0.9415 High Similarity NPC297574
0.9375 High Similarity NPC201814
0.9371 High Similarity NPC179947
0.936 High Similarity NPC476620
0.936 High Similarity NPC476621
0.936 High Similarity NPC476619
0.936 High Similarity NPC476618
0.936 High Similarity NPC476622
0.936 High Similarity NPC476623
0.9333 High Similarity NPC174140
0.9318 High Similarity NPC473618
0.9318 High Similarity NPC173872
0.9318 High Similarity NPC119094
0.931 High Similarity NPC129533
0.931 High Similarity NPC123259
0.9306 High Similarity NPC472725
0.9306 High Similarity NPC472726
0.9302 High Similarity NPC472992
0.9302 High Similarity NPC472991
0.929 High Similarity NPC311389
0.929 High Similarity NPC470271
0.9261 High Similarity NPC269625
0.9257 High Similarity NPC49690
0.9249 High Similarity NPC472387
0.9235 High Similarity NPC198125
0.9235 High Similarity NPC95421
0.9231 High Similarity NPC175793
0.9209 High Similarity NPC142291
0.9209 High Similarity NPC269046
0.9209 High Similarity NPC7839
0.92 High Similarity NPC97119
0.92 High Similarity NPC297503
0.92 High Similarity NPC135831
0.9195 High Similarity NPC471030
0.9186 High Similarity NPC172033
0.9186 High Similarity NPC88560
0.9186 High Similarity NPC175230
0.9181 High Similarity NPC204937
0.9181 High Similarity NPC470272
0.9181 High Similarity NPC149011
0.9176 High Similarity NPC43918
0.9176 High Similarity NPC261411
0.9176 High Similarity NPC190204
0.9153 High Similarity NPC237202
0.9153 High Similarity NPC105591
0.9148 High Similarity NPC470416
0.9138 High Similarity NPC265380
0.9128 High Similarity NPC67134
0.9128 High Similarity NPC47140
0.9111 High Similarity NPC476358
0.9096 High Similarity NPC474093
0.9096 High Similarity NPC104910
0.9091 High Similarity NPC36138
0.9091 High Similarity NPC476203
0.9091 High Similarity NPC132111
0.9086 High Similarity NPC185275
0.908 High Similarity NPC79736
0.908 High Similarity NPC67629
0.9075 High Similarity NPC263119
0.9075 High Similarity NPC34436
0.9075 High Similarity NPC473550
0.9075 High Similarity NPC166674
0.9075 High Similarity NPC46640
0.9075 High Similarity NPC219600
0.9075 High Similarity NPC472993
0.907 High Similarity NPC47521
0.907 High Similarity NPC181778
0.907 High Similarity NPC224462
0.907 High Similarity NPC471416
0.907 High Similarity NPC34287
0.9064 High Similarity NPC473818
0.9064 High Similarity NPC31034
0.9053 High Similarity NPC14030
0.9053 High Similarity NPC291957
0.9045 High Similarity NPC475179
0.904 High Similarity NPC472722
0.9034 High Similarity NPC170203
0.9034 High Similarity NPC469371
0.9034 High Similarity NPC208797
0.9034 High Similarity NPC53680
0.9029 High Similarity NPC293626
0.9029 High Similarity NPC267549
0.9029 High Similarity NPC113836
0.9029 High Similarity NPC258044
0.9029 High Similarity NPC196127
0.9029 High Similarity NPC37668
0.9029 High Similarity NPC217387
0.9029 High Similarity NPC267680
0.9029 High Similarity NPC253521
0.9017 High Similarity NPC254540
0.9017 High Similarity NPC472386
0.9017 High Similarity NPC307518
0.9017 High Similarity NPC211594
0.9017 High Similarity NPC102851
0.9017 High Similarity NPC259152
0.9017 High Similarity NPC5786
0.9017 High Similarity NPC172807
0.9017 High Similarity NPC48773
0.9017 High Similarity NPC3583
0.9017 High Similarity NPC205076
0.9012 High Similarity NPC183036
0.9012 High Similarity NPC170675
0.9012 High Similarity NPC149300
0.9012 High Similarity NPC112755
0.9012 High Similarity NPC471457
0.9 High Similarity NPC470898
0.8983 High Similarity NPC35924
0.8983 High Similarity NPC470718
0.8983 High Similarity NPC199172
0.8977 High Similarity NPC324742
0.8977 High Similarity NPC212290
0.8971 High Similarity NPC268533
0.8971 High Similarity NPC144097
0.8971 High Similarity NPC61904
0.8967 High Similarity NPC470450
0.8966 High Similarity NPC236191
0.8966 High Similarity NPC51774
0.8966 High Similarity NPC239549
0.896 High Similarity NPC183357
0.896 High Similarity NPC105511
0.896 High Similarity NPC44558
0.896 High Similarity NPC476365
0.896 High Similarity NPC22195
0.896 High Similarity NPC474434
0.896 High Similarity NPC21190
0.8953 High Similarity NPC116745
0.8953 High Similarity NPC58716
0.8953 High Similarity NPC146792
0.8953 High Similarity NPC45618
0.8953 High Similarity NPC298847
0.8953 High Similarity NPC45400
0.8947 High Similarity NPC165720
0.8941 High Similarity NPC4013
0.8941 High Similarity NPC90905
0.8939 High Similarity NPC30011
0.8939 High Similarity NPC72554
0.8939 High Similarity NPC97817
0.8933 High Similarity NPC25946
0.8933 High Similarity NPC470720
0.8933 High Similarity NPC470451
0.8933 High Similarity NPC470455
0.8933 High Similarity NPC21359
0.8933 High Similarity NPC460984
0.8933 High Similarity NPC470717
0.8933 High Similarity NPC318119
0.8933 High Similarity NPC470713
0.8927 High Similarity NPC164047
0.8927 High Similarity NPC470452
0.8927 High Similarity NPC470448
0.8927 High Similarity NPC470453
0.8927 High Similarity NPC125352
0.8927 High Similarity NPC117668
0.892 High Similarity NPC471789
0.892 High Similarity NPC217520
0.892 High Similarity NPC477895
0.892 High Similarity NPC35167
0.892 High Similarity NPC139571
0.8914 High Similarity NPC477848
0.8914 High Similarity NPC237435
0.8914 High Similarity NPC142996
0.8914 High Similarity NPC102028
0.8914 High Similarity NPC81042
0.8914 High Similarity NPC115760
0.8914 High Similarity NPC199533
0.8914 High Similarity NPC101191
0.8914 High Similarity NPC49344
0.8914 High Similarity NPC214621
0.8914 High Similarity NPC135277
0.8914 High Similarity NPC43211
0.8914 High Similarity NPC210094

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC111490 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
0.8914 High Similarity NPD4338 Clinical (unspecified phase)
0.88 High Similarity NPD7993 Clinical (unspecified phase)
0.8757 High Similarity NPD4868 Clinical (unspecified phase)
0.8743 High Similarity NPD7074 Phase 3
0.8743 High Similarity NPD7472 Approved
0.8736 High Similarity NPD3818 Discontinued
0.8686 High Similarity NPD7054 Approved
0.8619 High Similarity NPD8397 Clinical (unspecified phase)
0.8596 High Similarity NPD7808 Phase 3
0.8588 High Similarity NPD6797 Phase 2
0.858 High Similarity NPD5844 Phase 1
0.8547 High Similarity NPD8313 Approved
0.8547 High Similarity NPD8312 Approved
0.8539 High Similarity NPD7251 Discontinued
0.8514 High Similarity NPD6167 Clinical (unspecified phase)
0.8514 High Similarity NPD6168 Clinical (unspecified phase)
0.8514 High Similarity NPD6166 Phase 2
0.8488 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD1465 Phase 2
0.8295 Intermediate Similarity NPD6232 Discontinued
0.8256 Intermediate Similarity NPD1934 Approved
0.8247 Intermediate Similarity NPD8151 Discontinued
0.8239 Intermediate Similarity NPD6959 Discontinued
0.8212 Intermediate Similarity NPD7228 Approved
0.8208 Intermediate Similarity NPD2801 Approved
0.8167 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8156 Intermediate Similarity NPD7473 Discontinued
0.8132 Intermediate Similarity NPD6559 Discontinued
0.8103 Intermediate Similarity NPD8455 Phase 2
0.8103 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8034 Intermediate Similarity NPD7199 Phase 2
0.8023 Intermediate Similarity NPD6234 Discontinued
0.8023 Intermediate Similarity NPD1653 Approved
0.8011 Intermediate Similarity NPD3751 Discontinued
0.8 Intermediate Similarity NPD7819 Suspended
0.7989 Intermediate Similarity NPD3787 Discontinued
0.798 Intermediate Similarity NPD7783 Phase 2
0.798 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD5494 Approved
0.7966 Intermediate Similarity NPD3749 Approved
0.7955 Intermediate Similarity NPD3817 Phase 2
0.7955 Intermediate Similarity NPD5402 Approved
0.7943 Intermediate Similarity NPD37 Approved
0.7931 Intermediate Similarity NPD4380 Phase 2
0.791 Intermediate Similarity NPD4965 Approved
0.791 Intermediate Similarity NPD4966 Approved
0.791 Intermediate Similarity NPD4967 Phase 2
0.791 Intermediate Similarity NPD7768 Phase 2
0.791 Intermediate Similarity NPD3882 Suspended
0.7897 Intermediate Similarity NPD7435 Discontinued
0.7865 Intermediate Similarity NPD7075 Discontinued
0.7861 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7845 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD7685 Pre-registration
0.7838 Intermediate Similarity NPD7240 Approved
0.7835 Intermediate Similarity NPD6781 Approved
0.7835 Intermediate Similarity NPD6778 Approved
0.7835 Intermediate Similarity NPD6782 Approved
0.7835 Intermediate Similarity NPD6776 Approved
0.7835 Intermediate Similarity NPD6777 Approved
0.7835 Intermediate Similarity NPD6780 Approved
0.7835 Intermediate Similarity NPD6779 Approved
0.7791 Intermediate Similarity NPD1511 Approved
0.7784 Intermediate Similarity NPD7411 Suspended
0.7766 Intermediate Similarity NPD7871 Phase 2
0.7766 Intermediate Similarity NPD7870 Phase 2
0.7759 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD7874 Approved
0.775 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7696 Phase 3
0.7716 Intermediate Similarity NPD7697 Approved
0.7716 Intermediate Similarity NPD7698 Approved
0.7701 Intermediate Similarity NPD1512 Approved
0.7697 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.765 Intermediate Similarity NPD7701 Phase 2
0.764 Intermediate Similarity NPD6801 Discontinued
0.7602 Intermediate Similarity NPD1549 Phase 2
0.7577 Intermediate Similarity NPD6535 Approved
0.7577 Intermediate Similarity NPD6534 Approved
0.7576 Intermediate Similarity NPD6823 Phase 2
0.7557 Intermediate Similarity NPD5403 Approved
0.7551 Intermediate Similarity NPD7699 Phase 2
0.7551 Intermediate Similarity NPD7700 Phase 2
0.7544 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD7801 Approved
0.7514 Intermediate Similarity NPD3750 Approved
0.75 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD6799 Approved
0.7486 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD6190 Approved
0.7464 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD7680 Approved
0.7448 Intermediate Similarity NPD8150 Discontinued
0.7443 Intermediate Similarity NPD2533 Approved
0.7443 Intermediate Similarity NPD2534 Approved
0.7443 Intermediate Similarity NPD5401 Approved
0.7443 Intermediate Similarity NPD2532 Approved
0.7443 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD6599 Discontinued
0.7424 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD8320 Phase 1
0.7413 Intermediate Similarity NPD8319 Approved
0.7386 Intermediate Similarity NPD7390 Discontinued
0.7374 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD3926 Phase 2
0.7353 Intermediate Similarity NPD230 Phase 1
0.7347 Intermediate Similarity NPD6212 Phase 3
0.7347 Intermediate Similarity NPD6213 Phase 3
0.7347 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD7266 Discontinued
0.7326 Intermediate Similarity NPD1510 Phase 2
0.7314 Intermediate Similarity NPD4628 Phase 3
0.7294 Intermediate Similarity NPD1613 Approved
0.7294 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD2796 Approved
0.7283 Intermediate Similarity NPD2935 Discontinued
0.7278 Intermediate Similarity NPD3226 Approved
0.7268 Intermediate Similarity NPD8434 Phase 2
0.7258 Intermediate Similarity NPD1247 Approved
0.7251 Intermediate Similarity NPD1933 Approved
0.7243 Intermediate Similarity NPD919 Approved
0.7225 Intermediate Similarity NPD3748 Approved
0.7216 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD943 Approved
0.7184 Intermediate Similarity NPD5408 Approved
0.7184 Intermediate Similarity NPD1551 Phase 2
0.7184 Intermediate Similarity NPD5404 Approved
0.7184 Intermediate Similarity NPD5406 Approved
0.7184 Intermediate Similarity NPD5405 Approved
0.7182 Intermediate Similarity NPD7458 Discontinued
0.7166 Intermediate Similarity NPD8127 Discontinued
0.7159 Intermediate Similarity NPD6674 Discontinued
0.7159 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD447 Suspended
0.715 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD4287 Approved
0.7101 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD1240 Approved
0.7087 Intermediate Similarity NPD7584 Approved
0.7077 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7549 Discontinued
0.7059 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD8059 Phase 3
0.7051 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD2346 Discontinued
0.7039 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5711 Approved
0.7037 Intermediate Similarity NPD7229 Phase 3
0.7037 Intermediate Similarity NPD5710 Approved
0.7029 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD3027 Phase 3
0.7014 Intermediate Similarity NPD7930 Approved
0.7011 Intermediate Similarity NPD1607 Approved
0.6979 Remote Similarity NPD7177 Discontinued
0.6978 Remote Similarity NPD920 Approved
0.6977 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6976 Remote Similarity NPD5006 Approved
0.6976 Remote Similarity NPD5005 Approved
0.6971 Remote Similarity NPD7585 Approved
0.6961 Remote Similarity NPD642 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5953 Discontinued
0.6932 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7003 Approved
0.6927 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6273 Approved
0.6923 Remote Similarity NPD7583 Approved
0.6911 Remote Similarity NPD5242 Approved
0.6898 Remote Similarity NPD5353 Approved
0.6879 Remote Similarity NPD3764 Approved
0.6872 Remote Similarity NPD2800 Approved
0.6872 Remote Similarity NPD1243 Approved
0.6863 Remote Similarity NPD4420 Approved
0.686 Remote Similarity NPD4908 Phase 1
0.6856 Remote Similarity NPD7286 Phase 2
0.6854 Remote Similarity NPD2344 Approved
0.6851 Remote Similarity NPD643 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6233 Phase 2
0.6836 Remote Similarity NPD2799 Discontinued
0.6833 Remote Similarity NPD8166 Discontinued
0.6809 Remote Similarity NPD4288 Approved
0.6805 Remote Similarity NPD9269 Phase 2
0.68 Remote Similarity NPD6843 Phase 3
0.68 Remote Similarity NPD6841 Approved
0.68 Remote Similarity NPD6842 Approved
0.6798 Remote Similarity NPD6099 Approved
0.6798 Remote Similarity NPD6100 Approved
0.6784 Remote Similarity NPD1203 Approved
0.6782 Remote Similarity NPD6798 Discontinued
0.6782 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6782 Remote Similarity NPD2313 Discontinued
0.678 Remote Similarity NPD7097 Phase 1

Structure

External Identifiers

PubChem CID   10056140
ChEMBL   CHEMBL448796
ZINC  

Physicochemical Properties

Molecular Weight:  802.09
ALogP:  -6.863
MLogP:  2.67
XLogP:  -1.597
# Rotatable Bonds:  20
Polar Surface Area:  397.65
# H-Bond Aceptor:  11
# H-Bond Donor:  14
# Rings:  6
# Heavy Atoms:  57

Download Data

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