Natural Product: NPC3474

Natural Product ID:  NPC3474
Common Name:   Mallotusinic Acid
IUPAC Name:  
Synonyms:   Mallotusinic Acid
Molecular Formula:   C48H32O32
Standard InCHIKey:  MWPRJJBXNINUTQ-PDRZNIRRSA-N
Standard InCHI:  InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)64)5-18(52)29(57)34(35)62/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)/t21-,26+,36-,38+,39-,46+,48+/m1/s1
Canonical SMILES:  O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]4[C@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)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
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota TCMID*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota PMID[11520216]
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO29801 Mallotus philippinensis Species Salangidae Eukaryota PMID[11520216]
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae 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

  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 NPC3474 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
0.9718 High Similarity NPC201814
0.9661 High Similarity NPC158214
0.9661 High Similarity NPC290289
0.9661 High Similarity NPC223534
0.9661 High Similarity NPC240200
0.9607 High Similarity NPC31208
0.9607 High Similarity NPC472720
0.9607 High Similarity NPC469652
0.9607 High Similarity NPC187632
0.9607 High Similarity NPC472721
0.9607 High Similarity NPC472724
0.9607 High Similarity NPC160543
0.9607 High Similarity NPC93065
0.9605 High Similarity NPC469649
0.9605 High Similarity NPC260521
0.9558 High Similarity NPC189312
0.9553 High Similarity NPC97924
0.9553 High Similarity NPC40078
0.9553 High Similarity NPC471091
0.9438 High Similarity NPC469650
0.9438 High Similarity NPC111490
0.9438 High Similarity NPC261623
0.9385 High Similarity NPC65489
0.9333 High Similarity NPC477081
0.9333 High Similarity NPC477083
0.9297 High Similarity NPC470450
0.9278 High Similarity NPC269625
0.9274 High Similarity NPC231254
0.927 High Similarity NPC8940
0.9243 High Similarity NPC174140
0.9235 High Similarity NPC477082
0.9231 High Similarity NPC264302
0.9227 High Similarity NPC173872
0.9227 High Similarity NPC142291
0.9227 High Similarity NPC119094
0.9227 High Similarity NPC7839
0.9213 High Similarity NPC472725
0.9213 High Similarity NPC472726
0.9171 High Similarity NPC475179
0.9116 High Similarity NPC112380
0.9116 High Similarity NPC474093
0.9116 High Similarity NPC104910
0.9111 High Similarity NPC297503
0.9111 High Similarity NPC470718
0.9111 High Similarity NPC97119
0.9111 High Similarity NPC135831
0.9106 High Similarity NPC80956
0.9066 High Similarity NPC30011
0.9066 High Similarity NPC97817
0.9066 High Similarity NPC179947
0.9066 High Similarity NPC72554
0.9061 High Similarity NPC460984
0.9061 High Similarity NPC470720
0.9061 High Similarity NPC21359
0.9061 High Similarity NPC470713
0.9061 High Similarity NPC470451
0.9061 High Similarity NPC470455
0.9061 High Similarity NPC470717
0.9061 High Similarity NPC49690
0.9061 High Similarity NPC470416
0.9061 High Similarity NPC25946
0.9056 High Similarity NPC170203
0.905 High Similarity NPC476618
0.905 High Similarity NPC476623
0.905 High Similarity NPC476620
0.905 High Similarity NPC476622
0.905 High Similarity NPC476619
0.905 High Similarity NPC476621
0.9016 High Similarity NPC473618
0.9016 High Similarity NPC41845
0.9011 High Similarity NPC470719
0.9011 High Similarity NPC295625
0.9011 High Similarity NPC473554
0.9006 High Similarity NPC36138
0.9006 High Similarity NPC241781
0.9006 High Similarity NPC470449
0.9006 High Similarity NPC470445
0.9006 High Similarity NPC470446
0.9006 High Similarity NPC162394
0.9006 High Similarity NPC156785
0.9006 High Similarity NPC470447
0.8994 High Similarity NPC297574
0.8994 High Similarity NPC268533
0.8994 High Similarity NPC472723
0.8956 High Similarity NPC275977
0.8956 High Similarity NPC249560
0.8956 High Similarity NPC223860
0.8944 High Similarity NPC293626
0.8944 High Similarity NPC267680
0.8944 High Similarity NPC196127
0.8944 High Similarity NPC253521
0.8944 High Similarity NPC217387
0.8944 High Similarity NPC258044
0.8944 High Similarity NPC37668
0.8944 High Similarity NPC113836
0.8944 High Similarity NPC472387
0.8925 High Similarity NPC476358
0.8913 High Similarity NPC269046
0.8907 High Similarity NPC475220
0.8907 High Similarity NPC473686
0.8907 High Similarity NPC33083
0.8907 High Similarity NPC475352
0.8907 High Similarity NPC221140
0.8907 High Similarity NPC229817
0.8901 High Similarity NPC132111
0.8901 High Similarity NPC123259
0.8901 High Similarity NPC476203
0.8901 High Similarity NPC129533
0.8895 High Similarity NPC471030
0.8895 High Similarity NPC473682
0.8895 High Similarity NPC470443
0.8895 High Similarity NPC126784
0.8895 High Similarity NPC473571
0.8895 High Similarity NPC110941
0.8895 High Similarity NPC470444
0.8895 High Similarity NPC241423
0.8889 High Similarity NPC472991
0.8889 High Similarity NPC472380
0.8889 High Similarity NPC8573
0.8889 High Similarity NPC472384
0.8889 High Similarity NPC144097
0.8889 High Similarity NPC473862
0.8889 High Similarity NPC472382
0.8889 High Similarity NPC61904
0.8889 High Similarity NPC472992
0.887 High Similarity NPC43918
0.887 High Similarity NPC261411
0.887 High Similarity NPC190204
0.8859 High Similarity NPC237202
0.8859 High Similarity NPC64755
0.8852 High Similarity NPC472722
0.8852 High Similarity NPC318119
0.8852 High Similarity NPC148710
0.8846 High Similarity NPC469371
0.884 High Similarity NPC265380
0.884 High Similarity NPC35167
0.884 High Similarity NPC173837
0.884 High Similarity NPC217520
0.884 High Similarity NPC139571
0.884 High Similarity NPC477895
0.8833 High Similarity NPC237435
0.8833 High Similarity NPC253685
0.8833 High Similarity NPC81042
0.8833 High Similarity NPC115760
0.8833 High Similarity NPC43211
0.8833 High Similarity NPC223426
0.8833 High Similarity NPC135277
0.8833 High Similarity NPC101191
0.8833 High Similarity NPC49344
0.8833 High Similarity NPC210094
0.8833 High Similarity NPC214621
0.8833 High Similarity NPC34267
0.8827 High Similarity NPC100251
0.8827 High Similarity NPC476370
0.8827 High Similarity NPC47140
0.8827 High Similarity NPC67134
0.882 High Similarity NPC149300
0.8811 High Similarity NPC205721
0.8798 High Similarity NPC473717
0.8798 High Similarity NPC473631
0.8798 High Similarity NPC150977
0.8798 High Similarity NPC321916
0.8798 High Similarity NPC473072
0.8798 High Similarity NPC475662
0.8798 High Similarity NPC293227
0.8791 High Similarity NPC185275
0.8785 High Similarity NPC472385
0.8785 High Similarity NPC198324
0.8785 High Similarity NPC470949
0.8785 High Similarity NPC65563
0.8785 High Similarity NPC233994
0.8785 High Similarity NPC89127
0.8785 High Similarity NPC471669
0.8785 High Similarity NPC211532
0.8785 High Similarity NPC219043
0.8785 High Similarity NPC169733
0.8778 High Similarity NPC88560
0.8778 High Similarity NPC98583
0.8778 High Similarity NPC172033
0.8778 High Similarity NPC175230
0.8778 High Similarity NPC476374
0.8778 High Similarity NPC473550
0.8771 High Similarity NPC471416
0.8771 High Similarity NPC204937
0.8771 High Similarity NPC149011
0.8771 High Similarity NPC47521
0.8771 High Similarity NPC34287
0.8771 High Similarity NPC476365
0.8764 High Similarity NPC470271
0.8764 High Similarity NPC311389
0.8763 High Similarity NPC314672
0.8757 High Similarity NPC105591
0.875 High Similarity NPC75574
0.8743 High Similarity NPC473071
0.8743 High Similarity NPC473073
0.8736 High Similarity NPC251417
0.8736 High Similarity NPC89052
0.8736 High Similarity NPC471789
0.8736 High Similarity NPC267549
0.8729 High Similarity NPC264735

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC3474 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
0.8833 High Similarity NPD4338 Clinical (unspecified phase)
0.8729 High Similarity NPD7808 Phase 3
0.8722 High Similarity NPD7993 Clinical (unspecified phase)
0.8674 High Similarity NPD7251 Discontinued
0.8649 High Similarity NPD8397 Clinical (unspecified phase)
0.8619 High Similarity NPD6797 Phase 2
0.8579 High Similarity NPD8312 Approved
0.8579 High Similarity NPD8313 Approved
0.8564 High Similarity NPD7472 Approved
0.8564 High Similarity NPD7074 Phase 3
0.8508 High Similarity NPD7054 Approved
0.8457 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD6166 Phase 2
0.8362 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8352 Intermediate Similarity NPD3818 Discontinued
0.8306 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8191 Intermediate Similarity NPD8151 Discontinued
0.8146 Intermediate Similarity NPD1465 Phase 2
0.8111 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8108 Intermediate Similarity NPD5844 Phase 1
0.8098 Intermediate Similarity NPD7473 Discontinued
0.8077 Intermediate Similarity NPD6959 Discontinued
0.8054 Intermediate Similarity NPD3751 Discontinued
0.8054 Intermediate Similarity NPD7228 Approved
0.8011 Intermediate Similarity NPD7075 Discontinued
0.8 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3817 Phase 2
0.7989 Intermediate Similarity NPD1934 Approved
0.7956 Intermediate Similarity NPD3882 Suspended
0.7944 Intermediate Similarity NPD2801 Approved
0.794 Intermediate Similarity NPD7435 Discontinued
0.7935 Intermediate Similarity NPD3787 Discontinued
0.7935 Intermediate Similarity NPD6232 Discontinued
0.7923 Intermediate Similarity NPD5494 Approved
0.7901 Intermediate Similarity NPD5402 Approved
0.7892 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7845 Intermediate Similarity NPD8455 Phase 2
0.7845 Intermediate Similarity NPD7819 Suspended
0.7845 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7845 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD7870 Phase 2
0.7811 Intermediate Similarity NPD7871 Phase 2
0.7794 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD7874 Approved
0.7789 Intermediate Similarity NPD6559 Discontinued
0.7772 Intermediate Similarity NPD6234 Discontinued
0.7761 Intermediate Similarity NPD7697 Approved
0.7761 Intermediate Similarity NPD7698 Approved
0.7761 Intermediate Similarity NPD7696 Phase 3
0.7756 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD7783 Phase 2
0.7717 Intermediate Similarity NPD3749 Approved
0.7705 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD6781 Approved
0.77 Intermediate Similarity NPD6777 Approved
0.77 Intermediate Similarity NPD6776 Approved
0.77 Intermediate Similarity NPD6780 Approved
0.77 Intermediate Similarity NPD6778 Approved
0.77 Intermediate Similarity NPD6779 Approved
0.77 Intermediate Similarity NPD6782 Approved
0.7696 Intermediate Similarity NPD7701 Phase 2
0.7696 Intermediate Similarity NPD7240 Approved
0.7688 Intermediate Similarity NPD7199 Phase 2
0.7663 Intermediate Similarity NPD7768 Phase 2
0.7654 Intermediate Similarity NPD1512 Approved
0.7635 Intermediate Similarity NPD8320 Phase 1
0.7635 Intermediate Similarity NPD8319 Approved
0.7604 Intermediate Similarity NPD7685 Pre-registration
0.76 Intermediate Similarity NPD7699 Phase 2
0.76 Intermediate Similarity NPD7700 Phase 2
0.7596 Intermediate Similarity NPD6801 Discontinued
0.7596 Intermediate Similarity NPD37 Approved
0.7594 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD8150 Discontinued
0.7585 Intermediate Similarity NPD7801 Approved
0.7582 Intermediate Similarity NPD4380 Phase 2
0.7569 Intermediate Similarity NPD1653 Approved
0.7568 Intermediate Similarity NPD4965 Approved
0.7568 Intermediate Similarity NPD4966 Approved
0.7568 Intermediate Similarity NPD4967 Phase 2
0.7542 Intermediate Similarity NPD6799 Approved
0.7542 Intermediate Similarity NPD1511 Approved
0.7541 Intermediate Similarity NPD7411 Suspended
0.7514 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD5403 Approved
0.7486 Intermediate Similarity NPD6599 Discontinued
0.745 Intermediate Similarity NPD6534 Approved
0.745 Intermediate Similarity NPD6535 Approved
0.7411 Intermediate Similarity NPD8434 Phase 2
0.7403 Intermediate Similarity NPD5401 Approved
0.7374 Intermediate Similarity NPD3750 Approved
0.7366 Intermediate Similarity NPD6823 Phase 2
0.736 Intermediate Similarity NPD1549 Phase 2
0.7333 Intermediate Similarity NPD6190 Approved
0.733 Intermediate Similarity NPD7680 Approved
0.733 Intermediate Similarity NPD3926 Phase 2
0.7316 Intermediate Similarity NPD1247 Approved
0.7308 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD919 Approved
0.7281 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD7390 Discontinued
0.7243 Intermediate Similarity NPD7458 Discontinued
0.7213 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD2533 Approved
0.712 Intermediate Similarity NPD2532 Approved
0.712 Intermediate Similarity NPD2534 Approved
0.7111 Intermediate Similarity NPD7266 Discontinued
0.7095 Intermediate Similarity NPD3748 Approved
0.7095 Intermediate Similarity NPD1510 Phase 2
0.7059 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3226 Approved
0.7059 Intermediate Similarity NPD6213 Phase 3
0.7059 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6212 Phase 3
0.7056 Intermediate Similarity NPD2796 Approved
0.7027 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD230 Phase 1
0.7019 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.6995 Remote Similarity NPD8166 Discontinued
0.6966 Remote Similarity NPD943 Approved
0.6965 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6961 Remote Similarity NPD2935 Discontinued
0.6959 Remote Similarity NPD8127 Discontinued
0.6955 Remote Similarity NPD7907 Approved
0.694 Remote Similarity NPD6674 Discontinued
0.694 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6927 Remote Similarity NPD1933 Approved
0.6923 Remote Similarity NPD7229 Phase 3
0.6912 Remote Similarity NPD4287 Approved
0.6902 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6902 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6902 Remote Similarity NPD4628 Phase 3
0.6901 Remote Similarity NPD7584 Approved
0.6875 Remote Similarity NPD8059 Phase 3
0.6875 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6872 Remote Similarity NPD1240 Approved
0.6872 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6872 Remote Similarity NPD1613 Approved
0.6868 Remote Similarity NPD5406 Approved
0.6868 Remote Similarity NPD5404 Approved
0.6868 Remote Similarity NPD5408 Approved
0.6868 Remote Similarity NPD1551 Phase 2
0.6868 Remote Similarity NPD5405 Approved
0.6866 Remote Similarity NPD7549 Discontinued
0.6835 Remote Similarity NPD7930 Approved
0.6833 Remote Similarity NPD447 Suspended
0.6831 Remote Similarity NPD2346 Discontinued
0.6816 Remote Similarity NPD6233 Phase 2
0.6811 Remote Similarity NPD7003 Approved
0.6796 Remote Similarity NPD1607 Approved
0.6788 Remote Similarity NPD5353 Approved
0.6787 Remote Similarity NPD4665 Approved
0.6787 Remote Similarity NPD4111 Phase 1
0.6784 Remote Similarity NPD8067 Phase 3
0.678 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6776 Remote Similarity NPD6100 Approved
0.6776 Remote Similarity NPD6099 Approved
0.6772 Remote Similarity NPD920 Approved
0.6768 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6766 Remote Similarity NPD5953 Discontinued
0.676 Remote Similarity NPD6859 Clinical (unspecified phase)
0.676 Remote Similarity NPD6798 Discontinued
0.6757 Remote Similarity NPD2800 Approved
0.6755 Remote Similarity NPD642 Clinical (unspecified phase)
0.6751 Remote Similarity NPD5711 Approved
0.6751 Remote Similarity NPD5710 Approved
0.675 Remote Similarity NPD7286 Phase 2
0.6742 Remote Similarity NPD1529 Clinical (unspecified phase)
0.674 Remote Similarity NPD6355 Discontinued
0.6733 Remote Similarity NPD8368 Discontinued
0.6726 Remote Similarity NPD8366 Approved
0.6721 Remote Similarity NPD2799 Discontinued
0.6721 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6714 Remote Similarity NPD5006 Approved
0.6714 Remote Similarity NPD5005 Approved
0.6713 Remote Similarity NPD7585 Approved
0.67 Remote Similarity NPD7799 Discontinued
0.67 Remote Similarity NPD7177 Discontinued
0.6698 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6697 Remote Similarity NPD8404 Phase 2
0.6685 Remote Similarity NPD4060 Phase 1
0.6684 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7583 Approved
0.6667 Remote Similarity NPD7097 Phase 1
0.6667 Remote Similarity NPD1243 Approved
0.6651 Remote Similarity NPD8285 Discontinued
0.6649 Remote Similarity NPD2344 Approved
0.6649 Remote Similarity NPD643 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   16201525
ChEMBL   CHEMBL506817
ZINC  

Physicochemical Properties

Molecular Weight:  1120.09
ALogP:  -8.7694
MLogP:  3.22
XLogP:  -2.152
# Rotatable Bonds:  23
Polar Surface Area:  537.24
# H-Bond Aceptor:  17
# H-Bond Donor:  17
# Rings:  10
# Heavy Atoms:  80

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