Natural Product: NPC217091

Natural Product ID:  NPC217091
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C44H48O15
Standard InCHIKey:  QSCIDKJZGZYKSP-KCCIQLONSA-N
Standard InCHI:  InChI=1S/C44H48O15/c1-24-32(59-35(50)19-18-29-14-10-8-11-15-29)21-34(55-25(2)45)43(23-53-40(51)30-16-12-9-13-17-30)36(24)37(56-26(3)46)31-20-33(49)42(7)44(52,41(31,6)22-54-42)39(58-28(5)48)38(43)57-27(4)47/h8-19,31-32,34,36-39,52H,1,20-23H2,2-7H3/b19-18+/t31-,32-,34-,36-,37+,38-,39-,41-,42+,43+,44-/m0/s1
Canonical SMILES:  O=C(O[C@H]1C[C@H](OC(=O)C)[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)[C@@]3([C@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@@]1(C)CO3)O)C)COC(=O)c1ccccc1)/C=C/c1ccccc1
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
NPO20264 Moonia heterophylla NA NA NA UNPD*
NPO24852 Helicia nilagirica Species Proteaceae Eukaryota UNPD*
NPO24730 Lactarius deliciosus Species Russulaceae Eukaryota UNPD*
NPO22618 Psolus eximius Species Psolidae Eukaryota UNPD*
NPO22152 Tecoma undulata Species Bignoniaceae Eukaryota UNPD*
NPO24802 Diploprion bifasciatum Species Serranidae Eukaryota UNPD*
NPO15482 Vanderbylia fraxinea Species Polyporaceae Eukaryota UNPD*
NPO24566 Marasmiellus ramealis Species Omphalotaceae Eukaryota UNPD*
NPO25466 Lecanora sulphurella Species Lecanoraceae Eukaryota UNPD*
NPO6645.1 Picea jezoensis var. jezoensis Varieties Pinaceae Eukaryota UNPD*
NPO25366 Sapium indicum Species Euphorbiaceae Eukaryota UNPD*
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota TCMID*
NPO23894 Pulicaria insignis Species Asteraceae Eukaryota UNPD*
NPO15125.1 Taxus wallichiana var. chinensis Varieties Taxaceae Eukaryota TCMID*
NPO18706 Anemone thalictroides Species Ranunculaceae Eukaryota UNPD*
NPO3721 Achyranthes obtusifolia Species Amaranthaceae Eukaryota UNPD*
NPO27746 Taxus mairei Species Taxaceae Eukaryota UNPD*
NPO24461 Clusia sandiensis Species Clusiidae Eukaryota UNPD*
NPO23788 Beauveria bassiana Species Cordycipitaceae Eukaryota UNPD*
NPO25492 Botryllus leachi Species Styelidae Eukaryota UNPD*
NPO24607 Goniothalamus dolichocarpus Species Annonaceae Eukaryota UNPD*
NPO25441 Desmodium pulchellu Species Fabaceae Eukaryota UNPD*
NPO24882 Erythrophleum chlorostachys Species Fabaceae Eukaryota UNPD*
NPO22283 Alhagi maurorum Species Fabaceae Eukaryota UNPD*
NPO28460 Achyrocline tomentosa Species Asteraceae Eukaryota UNPD*
NPO25277 Seiridium cupressi Species Sporocadaceae Eukaryota UNPD*
NPO27390 Vernonia brevifolia Species Asteraceae Eukaryota UNPD*
NPO25054 Phaleria macrocarpa Species Thymelaeaceae Eukaryota UNPD*
NPO25252 Nannocystis exedens Species Nannocystaceae Bacteria UNPD*
NPO14189 Osmundaria spiralis Species Rhodomelaceae Eukaryota UNPD*
NPO23994 Ormosia macrophylla Species Limoniidae Eukaryota UNPD*
NPO24373 Lobelia inflata Species Campanulaceae Eukaryota UNPD*
NPO25389 Allium angulosum Species Amaryllidaceae Eukaryota UNPD*
NPO24278 Pistacia chinensis Species Anacardiaceae Eukaryota UNPD*
NPO25311 Guettarda platypoda Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus IC50 > 10 ug/ml 10.1016/S0960-894X(97)00029-2

  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 NPC217091 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
0.9932 High Similarity NPC472393
0.9795 High Similarity NPC282239
0.9728 High Similarity NPC106895
0.966 High Similarity NPC473670
0.966 High Similarity NPC21410
0.9597 High Similarity NPC471102
0.9589 High Similarity NPC51602
0.9521 High Similarity NPC112216
0.9521 High Similarity NPC254558
0.9521 High Similarity NPC7095
0.9459 High Similarity NPC242262
0.9459 High Similarity NPC249471
0.9459 High Similarity NPC473414
0.9459 High Similarity NPC472030
0.9459 High Similarity NPC472005
0.9459 High Similarity NPC77719
0.9459 High Similarity NPC472022
0.9459 High Similarity NPC257213
0.9459 High Similarity NPC265395
0.9459 High Similarity NPC237549
0.9459 High Similarity NPC256142
0.9459 High Similarity NPC158333
0.9459 High Similarity NPC304876
0.9459 High Similarity NPC1173
0.9456 High Similarity NPC471103
0.9452 High Similarity NPC60509
0.9452 High Similarity NPC81698
0.9452 High Similarity NPC250046
0.9396 High Similarity NPC228204
0.9396 High Similarity NPC114410
0.9396 High Similarity NPC112523
0.9396 High Similarity NPC26033
0.9396 High Similarity NPC472549
0.9392 High Similarity NPC477905
0.9388 High Similarity NPC165260
0.9388 High Similarity NPC161239
0.9388 High Similarity NPC473214
0.9388 High Similarity NPC470245
0.9388 High Similarity NPC198455
0.9379 High Similarity NPC127857
0.9324 High Similarity NPC306799
0.9324 High Similarity NPC101043
0.9324 High Similarity NPC470153
0.932 High Similarity NPC473215
0.932 High Similarity NPC476975
0.931 High Similarity NPC80895
0.931 High Similarity NPC471912
0.9272 High Similarity NPC469771
0.9262 High Similarity NPC472548
0.9247 High Similarity NPC471107
0.9247 High Similarity NPC277053
0.9247 High Similarity NPC301946
0.9247 High Similarity NPC471100
0.92 High Similarity NPC219419
0.9184 High Similarity NPC474935
0.9178 High Similarity NPC472573
0.9178 High Similarity NPC95810
0.9178 High Similarity NPC163719
0.9178 High Similarity NPC188865
0.9178 High Similarity NPC472569
0.9178 High Similarity NPC11685
0.9178 High Similarity NPC476974
0.9178 High Similarity NPC25768
0.9178 High Similarity NPC95265
0.9178 High Similarity NPC470231
0.9178 High Similarity NPC57628
0.9178 High Similarity NPC125106
0.9178 High Similarity NPC70716
0.9178 High Similarity NPC472570
0.9139 High Similarity NPC114357
0.9139 High Similarity NPC259144
0.9139 High Similarity NPC155329
0.9116 High Similarity NPC471104
0.9116 High Similarity NPC174982
0.9116 High Similarity NPC472572
0.9116 High Similarity NPC177940
0.9116 High Similarity NPC29704
0.9116 High Similarity NPC476973
0.9116 High Similarity NPC473088
0.9116 High Similarity NPC184817
0.9116 High Similarity NPC158663
0.9116 High Similarity NPC96903
0.9116 High Similarity NPC171525
0.9116 High Similarity NPC472575
0.9116 High Similarity NPC472568
0.9116 High Similarity NPC469349
0.9116 High Similarity NPC470157
0.9116 High Similarity NPC200471
0.9116 High Similarity NPC70403
0.9116 High Similarity NPC470159
0.9116 High Similarity NPC472571
0.9073 High Similarity NPC11588
0.9073 High Similarity NPC229545
0.9073 High Similarity NPC134685
0.9073 High Similarity NPC248265
0.9048 High Similarity NPC470152
0.9048 High Similarity NPC475759
0.9048 High Similarity NPC241951
0.9048 High Similarity NPC475122
0.9041 High Similarity NPC182869
0.9 High Similarity NPC91730
0.8993 High Similarity NPC281717
0.8986 High Similarity NPC472556
0.898 High Similarity NPC163087
0.8973 High Similarity NPC16912
0.894 High Similarity NPC197037
0.8933 High Similarity NPC270590
0.8933 High Similarity NPC301556
0.8933 High Similarity NPC471101
0.8933 High Similarity NPC92293
0.8933 High Similarity NPC266265
0.8917 High Similarity NPC471493
0.8912 High Similarity NPC472546
0.891 High Similarity NPC55744
0.8904 High Similarity NPC48017
0.8904 High Similarity NPC43241
0.8904 High Similarity NPC473758
0.8904 High Similarity NPC473081
0.8904 High Similarity NPC473085
0.8904 High Similarity NPC171207
0.8904 High Similarity NPC184747
0.8904 High Similarity NPC473112
0.8904 High Similarity NPC476094
0.8904 High Similarity NPC211137
0.8904 High Similarity NPC200592
0.8904 High Similarity NPC473613
0.8904 High Similarity NPC147880
0.8904 High Similarity NPC473060
0.8904 High Similarity NPC97667
0.8904 High Similarity NPC473109
0.8904 High Similarity NPC4341
0.8896 High Similarity NPC469417
0.8889 High Similarity NPC473611
0.8868 High Similarity NPC102465
0.8867 High Similarity NPC217918
0.8854 High Similarity NPC329960
0.8854 High Similarity NPC66193
0.8854 High Similarity NPC295408
0.8854 High Similarity NPC150893
0.8846 High Similarity NPC476077
0.8844 High Similarity NPC41481
0.8844 High Similarity NPC291599
0.8844 High Similarity NPC97947
0.8844 High Similarity NPC118080
0.8844 High Similarity NPC472576
0.8844 High Similarity NPC224491
0.8844 High Similarity NPC27377
0.8844 High Similarity NPC87448
0.8839 High Similarity NPC469399
0.8836 High Similarity NPC210591
0.8836 High Similarity NPC214550
0.8836 High Similarity NPC475652
0.8812 High Similarity NPC477471
0.8812 High Similarity NPC477469
0.8812 High Similarity NPC477473
0.8812 High Similarity NPC477466
0.88 High Similarity NPC475552
0.88 High Similarity NPC477737
0.8797 High Similarity NPC471134
0.8784 High Similarity NPC34012
0.8776 High Similarity NPC183270
0.8776 High Similarity NPC100913
0.8776 High Similarity NPC90614
0.8776 High Similarity NPC477904
0.8776 High Similarity NPC275592
0.8767 High Similarity NPC183122
0.8767 High Similarity NPC283375
0.8766 High Similarity NPC473632
0.8766 High Similarity NPC132599
0.8766 High Similarity NPC469730
0.8742 High Similarity NPC61891
0.8725 High Similarity NPC139067
0.8725 High Similarity NPC246480
0.8725 High Similarity NPC147217
0.8725 High Similarity NPC477894
0.8725 High Similarity NPC270498
0.8725 High Similarity NPC473673
0.8725 High Similarity NPC475429
0.8725 High Similarity NPC177340
0.8725 High Similarity NPC191082
0.8716 High Similarity NPC213567
0.871 High Similarity NPC11410
0.8684 High Similarity NPC473403
0.8675 High Similarity NPC473602
0.8667 High Similarity NPC51314
0.8667 High Similarity NPC67777
0.8654 High Similarity NPC477735
0.8649 High Similarity NPC472547
0.8645 High Similarity NPC251139
0.8639 High Similarity NPC184109
0.8634 High Similarity NPC469420
0.8634 High Similarity NPC40138
0.863 High Similarity NPC195647
0.863 High Similarity NPC66761
0.863 High Similarity NPC291638
0.863 High Similarity NPC17877
0.863 High Similarity NPC472577
0.86 High Similarity NPC91703
0.8599 High Similarity NPC477736
0.859 High Similarity NPC70344

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC217091 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
0.8393 Intermediate Similarity NPD8407 Phase 2
0.8323 Intermediate Similarity NPD8368 Discontinued
0.8304 Intermediate Similarity NPD8435 Approved
0.8303 Intermediate Similarity NPD7799 Discontinued
0.8294 Intermediate Similarity NPD8434 Phase 2
0.8247 Intermediate Similarity NPD7236 Approved
0.8198 Intermediate Similarity NPD8361 Approved
0.8198 Intermediate Similarity NPD8360 Approved
0.8125 Intermediate Similarity NPD8485 Approved
0.8101 Intermediate Similarity NPD7239 Suspended
0.8081 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD8150 Discontinued
0.7651 Intermediate Similarity NPD7058 Phase 2
0.7651 Intermediate Similarity NPD7057 Phase 3
0.7582 Intermediate Similarity NPD7961 Discontinued
0.7566 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7075 Discontinued
0.7455 Intermediate Similarity NPD6599 Discontinued
0.7435 Intermediate Similarity NPD8462 Phase 1
0.7391 Intermediate Similarity NPD6190 Approved
0.734 Intermediate Similarity NPD8319 Approved
0.734 Intermediate Similarity NPD8320 Phase 1
0.7321 Intermediate Similarity NPD7819 Suspended
0.7299 Intermediate Similarity NPD7473 Discontinued
0.7278 Intermediate Similarity NPD3817 Phase 2
0.7262 Intermediate Similarity NPD6801 Discontinued
0.726 Intermediate Similarity NPD4198 Discontinued
0.7226 Intermediate Similarity NPD7008 Discontinued
0.7222 Intermediate Similarity NPD8166 Discontinued
0.7222 Intermediate Similarity NPD4628 Phase 3
0.7207 Intermediate Similarity NPD8313 Approved
0.7207 Intermediate Similarity NPD8312 Approved
0.7204 Intermediate Similarity NPD7699 Phase 2
0.7204 Intermediate Similarity NPD7700 Phase 2
0.7198 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7435 Discontinued
0.7195 Intermediate Similarity NPD6799 Approved
0.7194 Intermediate Similarity NPD8404 Phase 2
0.7186 Intermediate Similarity NPD7458 Discontinued
0.7176 Intermediate Similarity NPD5402 Approved
0.7168 Intermediate Similarity NPD8127 Discontinued
0.7151 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4380 Phase 2
0.7135 Intermediate Similarity NPD6535 Approved
0.7135 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6534 Approved
0.7135 Intermediate Similarity NPD3882 Suspended
0.7126 Intermediate Similarity NPD6232 Discontinued
0.7119 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD5494 Approved
0.7076 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD2629 Approved
0.707 Intermediate Similarity NPD3764 Approved
0.7066 Intermediate Similarity NPD5403 Approved
0.7062 Intermediate Similarity NPD7874 Approved
0.7062 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD5401 Approved
0.7045 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD6166 Phase 2
0.7045 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD3787 Discontinued
0.7022 Intermediate Similarity NPD5844 Phase 1
0.7018 Intermediate Similarity NPD5760 Phase 2
0.7018 Intermediate Similarity NPD5761 Phase 2
0.7006 Intermediate Similarity NPD6273 Approved
0.7 Intermediate Similarity NPD7411 Suspended
0.7 Intermediate Similarity NPD6764 Approved
0.7 Intermediate Similarity NPD6765 Approved
0.6982 Remote Similarity NPD3226 Approved
0.6966 Remote Similarity NPD3751 Discontinued
0.6966 Remote Similarity NPD3818 Discontinued
0.6961 Remote Similarity NPD7808 Phase 3
0.6961 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6959 Remote Similarity NPD37 Approved
0.6954 Remote Similarity NPD6234 Discontinued
0.6949 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6782 Approved
0.6947 Remote Similarity NPD6778 Approved
0.6947 Remote Similarity NPD6780 Approved
0.6947 Remote Similarity NPD6777 Approved
0.6947 Remote Similarity NPD6776 Approved
0.6947 Remote Similarity NPD6779 Approved
0.6947 Remote Similarity NPD6781 Approved
0.6946 Remote Similarity NPD2532 Approved
0.6946 Remote Similarity NPD2533 Approved
0.6946 Remote Similarity NPD2534 Approved
0.6936 Remote Similarity NPD4965 Approved
0.6936 Remote Similarity NPD4967 Phase 2
0.6936 Remote Similarity NPD7768 Phase 2
0.6936 Remote Similarity NPD4966 Approved
0.6933 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7698 Approved
0.6927 Remote Similarity NPD7696 Phase 3
0.6927 Remote Similarity NPD7697 Approved
0.6923 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6919 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6918 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6908 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6906 Remote Similarity NPD7251 Discontinued
0.6906 Remote Similarity NPD7685 Pre-registration
0.6897 Remote Similarity NPD3749 Approved
0.6897 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6891 Remote Similarity NPD7870 Phase 2
0.6891 Remote Similarity NPD7871 Phase 2
0.6887 Remote Similarity NPD7741 Discontinued
0.6875 Remote Similarity NPD6959 Discontinued
0.6872 Remote Similarity NPD7701 Phase 2
0.6872 Remote Similarity NPD7228 Approved
0.6864 Remote Similarity NPD6980 Clinical (unspecified phase)
0.686 Remote Similarity NPD1934 Approved
0.6853 Remote Similarity NPD7801 Approved
0.6851 Remote Similarity NPD6797 Phase 2
0.6848 Remote Similarity NPD6785 Approved
0.6848 Remote Similarity NPD6784 Approved
0.6848 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5951 Approved
0.6846 Remote Similarity NPD690 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6845 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7497 Discontinued
0.6832 Remote Similarity NPD6355 Discontinued
0.6829 Remote Similarity NPD2346 Discontinued
0.6813 Remote Similarity NPD6559 Discontinued
0.6807 Remote Similarity NPD7003 Approved
0.6797 Remote Similarity NPD5125 Phase 3
0.6797 Remote Similarity NPD5126 Approved
0.6796 Remote Similarity NPD7074 Phase 3
0.6768 Remote Similarity NPD5406 Approved
0.6768 Remote Similarity NPD5404 Approved
0.6768 Remote Similarity NPD5408 Approved
0.6768 Remote Similarity NPD5405 Approved
0.6761 Remote Similarity NPD919 Approved
0.6753 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6751 Remote Similarity NPD8151 Discontinued
0.6746 Remote Similarity NPD8389 Clinical (unspecified phase)
0.674 Remote Similarity NPD7054 Approved
0.6728 Remote Similarity NPD230 Phase 1
0.6727 Remote Similarity NPD1471 Phase 3
0.6724 Remote Similarity NPD2801 Approved
0.6724 Remote Similarity NPD8455 Phase 2
0.6721 Remote Similarity NPD7240 Approved
0.6716 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7610 Discontinued
0.6707 Remote Similarity NPD7305 Phase 1
0.6707 Remote Similarity NPD2799 Discontinued
0.6703 Remote Similarity NPD7472 Approved
0.6702 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6688 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7095 Approved
0.6686 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6686 Remote Similarity NPD7390 Discontinued
0.6686 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6685 Remote Similarity NPD7199 Phase 2
0.6684 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2182 Approved
0.6667 Remote Similarity NPD2796 Approved
0.6646 Remote Similarity NPD6798 Discontinued
0.6646 Remote Similarity NPD2313 Discontinued
0.6632 Remote Similarity NPD6213 Phase 3
0.6632 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6632 Remote Similarity NPD6212 Phase 3
0.6629 Remote Similarity NPD1465 Phase 2
0.6627 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6622 Remote Similarity NPD2067 Discontinued
0.6615 Remote Similarity NPD6823 Phase 2
0.6611 Remote Similarity NPD3926 Phase 2
0.6608 Remote Similarity NPD1512 Approved
0.6607 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6607 Remote Similarity NPD3750 Approved
0.6606 Remote Similarity NPD1510 Phase 2
0.6606 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6605 Remote Similarity NPD6233 Phase 2
0.6603 Remote Similarity NPD6287 Discontinued
0.66 Remote Similarity NPD6858 Approved
0.66 Remote Similarity NPD7094 Approved
0.6592 Remote Similarity NPD1247 Approved
0.659 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6587 Remote Similarity NPD1549 Phase 2
0.6587 Remote Similarity NPD970 Clinical (unspecified phase)
0.657 Remote Similarity NPD920 Approved
0.6568 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6566 Remote Similarity NPD2935 Discontinued
0.6556 Remote Similarity NPD7229 Phase 3
0.6554 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6548 Remote Similarity NPD2800 Approved
0.6546 Remote Similarity NPD8285 Discontinued
0.6545 Remote Similarity NPD7097 Phase 1
0.6541 Remote Similarity NPD1470 Approved
0.6538 Remote Similarity NPD8328 Phase 3
0.6533 Remote Similarity NPD1609 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   15226199
ChEMBL   CHEMBL419801
ZINC  

Physicochemical Properties

Molecular Weight:  816.30
ALogP:  -1.6591
MLogP:  4.65
XLogP:  6.946
# Rotatable Bonds:  23
Polar Surface Area:  204.33
# H-Bond Aceptor:  15
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  59

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Biological Activities  
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