Natural Product: NPC77719

Natural Product ID:  NPC77719
Common Name:   Orthosiphonone A
IUPAC Name:   [(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-3,9-diacetyloxy-4-benzoyloxy-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-2-yl] benzoate
Synonyms:  
Molecular Formula:   C38H42O11
Standard InCHIKey:  VGFQEWWZGREADO-WFHOPHNXSA-N
Standard InCHI:  InChI=1S/C38H42O11/c1-8-36(6)20-25(41)29-37(7)26(19-27(46-21(2)39)38(29,45)34(36)44)35(4,5)30(48-32(42)23-15-11-9-12-16-23)28(47-22(3)40)31(37)49-33(43)24-17-13-10-14-18-24/h8-18,26-31,45H,1,19-20H2,2-7H3/t26-,27+,28-,29+,30+,31-,36-,37-,38-/m0/s1
Canonical SMILES:  C=C[C@@]1(C)CC(=O)[C@H]2[C@@](C1=O)(O)[C@H](OC(=O)C)C[C@@H]1[C@]2(C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)C)[C@H](C1(C)C)OC(=O)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
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota Aerial parts Bangdung, Indonesia 2000-AUG PMID[12608860]
NPO14529 Asterias rubens Species Asteriidae Eukaryota UNPD*
NPO3549 Euonymus maackii Species Celastraceae Eukaryota UNPD*
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota UNPD*
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota UNPD*
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota UNPD*
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota UNPD*
NPO21807 Lindera umbellata Species Lauraceae Eukaryota UNPD*
NPO23183 Pinus halepensis Species Pinaceae Eukaryota UNPD*
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota UNPD*
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota UNPD*
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota UNPD*
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO8541 Oryza sativa Species Poaceae Eukaryota UNPD*
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota UNPD*
NPO5877 Morus yunnanensis Species Moraceae Eukaryota UNPD*
NPO22015 Clausena indica Species Rutaceae Eukaryota UNPD*
NPO21881 Stephania succifera Species Menispermaceae Eukaryota UNPD*
NPO10073 Clusia torresii Species Clusiaceae Eukaryota UNPD*
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota UNPD*
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota HerDing*
NPO23062 Melibe leonina Species Dendronotidae Eukaryota UNPD*
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota UNPD*
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota UNPD*
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota UNPD*
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota TCMID*
NPO29219 Primula veris Species Primulaceae Eukaryota UNPD*
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota UNPD*
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota TCMID*
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota UNPD*
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota UNPD*
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota UNPD*
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota UNPD*
NPO5511 Populus tremula Species Salicaceae Eukaryota UNPD*
NPO2499 Celmisia petriei Species Asteraceae Eukaryota UNPD*
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota UNPD*
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota UNPD*
NPO23141 Angelica ursina Species Apiaceae Eukaryota UNPD*
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota UNPD*
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota UNPD*
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota UNPD*
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota UNPD*
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota UNPD*
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota UNPD*
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota UNPD*
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota UNPD*
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota UNPD*
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota UNPD*
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota UNPD*
NPO23226 Satureja montana Species Lamiaceae Eukaryota UNPD*
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota UNPD*
NPO21745 Phleum africanum Species Poaceae Eukaryota UNPD*
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota UNPD*
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota UNPD*
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 32100 nM 12608860

  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 NPC77719 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
0.9931 High Similarity NPC114410
0.9931 High Similarity NPC112523
0.9861 High Similarity NPC158333
0.9861 High Similarity NPC257213
0.9861 High Similarity NPC249471
0.9861 High Similarity NPC1173
0.9861 High Similarity NPC265395
0.9861 High Similarity NPC472022
0.9861 High Similarity NPC242262
0.9861 High Similarity NPC472005
0.9861 High Similarity NPC256142
0.9861 High Similarity NPC237549
0.9861 High Similarity NPC472030
0.9861 High Similarity NPC473414
0.9861 High Similarity NPC304876
0.9793 High Similarity NPC228204
0.9793 High Similarity NPC26033
0.979 High Similarity NPC112216
0.966 High Similarity NPC469771
0.9653 High Similarity NPC198455
0.9653 High Similarity NPC7095
0.9653 High Similarity NPC161239
0.9653 High Similarity NPC165260
0.9595 High Similarity NPC471102
0.9583 High Similarity NPC81698
0.9583 High Similarity NPC250046
0.9583 High Similarity NPC60509
0.9524 High Similarity NPC282239
0.951 High Similarity NPC127857
0.9459 High Similarity NPC106895
0.9459 High Similarity NPC217091
0.9396 High Similarity NPC472393
0.9392 High Similarity NPC472549
0.9388 High Similarity NPC477905
0.932 High Similarity NPC51602
0.932 High Similarity NPC306799
0.932 High Similarity NPC101043
0.9257 High Similarity NPC472548
0.9252 High Similarity NPC254558
0.9189 High Similarity NPC470153
0.9189 High Similarity NPC471103
0.9133 High Similarity NPC21410
0.9133 High Similarity NPC473670
0.9122 High Similarity NPC470245
0.9122 High Similarity NPC473214
0.9116 High Similarity NPC281717
0.9085 High Similarity NPC476077
0.9054 High Similarity NPC266265
0.9054 High Similarity NPC476975
0.9054 High Similarity NPC471101
0.9054 High Similarity NPC270590
0.9054 High Similarity NPC301556
0.9054 High Similarity NPC473215
0.9054 High Similarity NPC92293
0.9041 High Similarity NPC476974
0.9041 High Similarity NPC472569
0.9041 High Similarity NPC95265
0.9041 High Similarity NPC472573
0.9041 High Similarity NPC70716
0.9041 High Similarity NPC25768
0.9041 High Similarity NPC472570
0.9041 High Similarity NPC188865
0.9041 High Similarity NPC95810
0.9041 High Similarity NPC163719
0.9041 High Similarity NPC57628
0.9041 High Similarity NPC11685
0.9041 High Similarity NPC125106
0.9034 High Similarity NPC182869
0.898 High Similarity NPC70403
0.898 High Similarity NPC472556
0.898 High Similarity NPC472568
0.898 High Similarity NPC473088
0.898 High Similarity NPC471104
0.898 High Similarity NPC472575
0.898 High Similarity NPC96903
0.898 High Similarity NPC29704
0.898 High Similarity NPC184817
0.898 High Similarity NPC470159
0.898 High Similarity NPC469349
0.898 High Similarity NPC177940
0.898 High Similarity NPC158663
0.898 High Similarity NPC171525
0.898 High Similarity NPC472572
0.898 High Similarity NPC470157
0.898 High Similarity NPC471100
0.898 High Similarity NPC476973
0.898 High Similarity NPC200471
0.898 High Similarity NPC471107
0.898 High Similarity NPC472571
0.898 High Similarity NPC174982
0.8966 High Similarity NPC213567
0.894 High Similarity NPC219419
0.894 High Similarity NPC248265
0.894 High Similarity NPC229545
0.894 High Similarity NPC11588
0.894 High Similarity NPC134685
0.8912 High Similarity NPC475759
0.8912 High Similarity NPC470231
0.8912 High Similarity NPC470152
0.8912 High Similarity NPC475122
0.8912 High Similarity NPC241951
0.8882 High Similarity NPC259144
0.8882 High Similarity NPC473611
0.8882 High Similarity NPC114357
0.8882 High Similarity NPC155329
0.8867 High Similarity NPC91730
0.8846 High Similarity NPC295408
0.8846 High Similarity NPC329960
0.8846 High Similarity NPC150893
0.8844 High Similarity NPC270498
0.8844 High Similarity NPC139067
0.8844 High Similarity NPC473673
0.8844 High Similarity NPC191082
0.8844 High Similarity NPC477894
0.8844 High Similarity NPC147217
0.8844 High Similarity NPC177340
0.8844 High Similarity NPC246480
0.8844 High Similarity NPC477468
0.8844 High Similarity NPC163087
0.8844 High Similarity NPC475429
0.8836 High Similarity NPC224491
0.8836 High Similarity NPC16912
0.8808 High Similarity NPC197037
0.8805 High Similarity NPC477469
0.8805 High Similarity NPC477473
0.8805 High Similarity NPC477466
0.8805 High Similarity NPC477471
0.8792 High Similarity NPC474935
0.8784 High Similarity NPC471912
0.8784 High Similarity NPC80895
0.8784 High Similarity NPC51314
0.8784 High Similarity NPC67777
0.8776 High Similarity NPC472546
0.8767 High Similarity NPC184747
0.8767 High Similarity NPC473081
0.8767 High Similarity NPC43241
0.8767 High Similarity NPC147880
0.8767 High Similarity NPC171207
0.8767 High Similarity NPC97667
0.8767 High Similarity NPC473109
0.8767 High Similarity NPC200592
0.8767 High Similarity NPC473112
0.8767 High Similarity NPC473085
0.8767 High Similarity NPC48017
0.8767 High Similarity NPC4341
0.8767 High Similarity NPC473758
0.8767 High Similarity NPC476094
0.8767 High Similarity NPC211137
0.8767 High Similarity NPC473613
0.8767 High Similarity NPC473060
0.8766 High Similarity NPC469417
0.8758 High Similarity NPC132599
0.8758 High Similarity NPC473632
0.8758 High Similarity NPC469730
0.8742 High Similarity NPC102465
0.8733 High Similarity NPC217918
0.8726 High Similarity NPC66193
0.8725 High Similarity NPC301946
0.8725 High Similarity NPC277053
0.871 High Similarity NPC469399
0.8707 High Similarity NPC27377
0.8707 High Similarity NPC41481
0.8707 High Similarity NPC472576
0.8707 High Similarity NPC97947
0.8707 High Similarity NPC118080
0.8707 High Similarity NPC87448
0.8707 High Similarity NPC291599
0.8701 High Similarity NPC11410
0.8699 High Similarity NPC214550
0.8699 High Similarity NPC210591
0.8699 High Similarity NPC475652
0.8671 High Similarity NPC471134
0.8671 High Similarity NPC471493
0.8667 High Similarity NPC473602
0.8667 High Similarity NPC475552
0.8662 High Similarity NPC55744
0.8649 High Similarity NPC34012
0.8639 High Similarity NPC90614
0.8639 High Similarity NPC477904
0.8639 High Similarity NPC275592
0.8639 High Similarity NPC183270
0.8639 High Similarity NPC472547
0.8639 High Similarity NPC100913
0.8636 High Similarity NPC251139
0.863 High Similarity NPC283375
0.863 High Similarity NPC183122
0.8625 High Similarity NPC469420
0.8621 High Similarity NPC477896
0.8621 High Similarity NPC477893
0.8616 High Similarity NPC61891
0.8591 High Similarity NPC91703
0.859 High Similarity NPC472807
0.8571 High Similarity NPC472395
0.8571 High Similarity NPC472371
0.8562 High Similarity NPC472551
0.8562 High Similarity NPC472545
0.8553 High Similarity NPC473403
0.8543 High Similarity NPC477737
0.8533 High Similarity NPC475404
0.8533 High Similarity NPC473677

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC77719 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
0.8117 Intermediate Similarity NPD7236 Approved
0.8095 Intermediate Similarity NPD8368 Discontinued
0.8081 Intermediate Similarity NPD8360 Approved
0.8081 Intermediate Similarity NPD8361 Approved
0.8081 Intermediate Similarity NPD8435 Approved
0.8072 Intermediate Similarity NPD7799 Discontinued
0.807 Intermediate Similarity NPD8434 Phase 2
0.8011 Intermediate Similarity NPD8485 Approved
0.7975 Intermediate Similarity NPD7239 Suspended
0.7953 Intermediate Similarity NPD8407 Phase 2
0.7886 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD8150 Discontinued
0.7706 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD7961 Discontinued
0.7532 Intermediate Similarity NPD8166 Discontinued
0.753 Intermediate Similarity NPD7057 Phase 3
0.753 Intermediate Similarity NPD7058 Phase 2
0.7515 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD8320 Phase 1
0.7514 Intermediate Similarity NPD8319 Approved
0.7486 Intermediate Similarity NPD8312 Approved
0.7486 Intermediate Similarity NPD8313 Approved
0.7485 Intermediate Similarity NPD7473 Discontinued
0.7485 Intermediate Similarity NPD7458 Discontinued
0.7485 Intermediate Similarity NPD7075 Discontinued
0.7473 Intermediate Similarity NPD7700 Phase 2
0.7473 Intermediate Similarity NPD7699 Phase 2
0.7472 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6599 Discontinued
0.7434 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD7819 Suspended
0.7403 Intermediate Similarity NPD6535 Approved
0.7403 Intermediate Similarity NPD6534 Approved
0.7375 Intermediate Similarity NPD6190 Approved
0.7366 Intermediate Similarity NPD7435 Discontinued
0.732 Intermediate Similarity NPD7008 Discontinued
0.7314 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD4628 Phase 3
0.731 Intermediate Similarity NPD6232 Discontinued
0.7262 Intermediate Similarity NPD3817 Phase 2
0.7246 Intermediate Similarity NPD6801 Discontinued
0.7241 Intermediate Similarity NPD4198 Discontinued
0.7234 Intermediate Similarity NPD7871 Phase 2
0.7234 Intermediate Similarity NPD7870 Phase 2
0.7229 Intermediate Similarity NPD4380 Phase 2
0.7225 Intermediate Similarity NPD6166 Phase 2
0.7225 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD7874 Approved
0.7219 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD6776 Approved
0.7204 Intermediate Similarity NPD6781 Approved
0.7204 Intermediate Similarity NPD6782 Approved
0.7204 Intermediate Similarity NPD6778 Approved
0.7204 Intermediate Similarity NPD6777 Approved
0.7204 Intermediate Similarity NPD6780 Approved
0.7204 Intermediate Similarity NPD6779 Approved
0.72 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7697 Approved
0.7181 Intermediate Similarity NPD7698 Approved
0.7181 Intermediate Similarity NPD7696 Phase 3
0.7178 Intermediate Similarity NPD6799 Approved
0.7172 Intermediate Similarity NPD2629 Approved
0.7169 Intermediate Similarity NPD3226 Approved
0.716 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD5402 Approved
0.7151 Intermediate Similarity NPD8127 Discontinued
0.7143 Intermediate Similarity NPD3751 Discontinued
0.7126 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD7701 Phase 2
0.711 Intermediate Similarity NPD3787 Discontinued
0.7102 Intermediate Similarity NPD5844 Phase 1
0.7099 Intermediate Similarity NPD7003 Approved
0.7098 Intermediate Similarity NPD7801 Approved
0.7083 Intermediate Similarity NPD8151 Discontinued
0.7083 Intermediate Similarity NPD7411 Suspended
0.7062 Intermediate Similarity NPD8462 Phase 1
0.7052 Intermediate Similarity NPD6959 Discontinued
0.7048 Intermediate Similarity NPD5403 Approved
0.7039 Intermediate Similarity NPD7808 Phase 3
0.7035 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5401 Approved
0.7019 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7768 Phase 2
0.7005 Intermediate Similarity NPD8404 Phase 2
0.7 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.6994 Remote Similarity NPD5494 Approved
0.6988 Remote Similarity NPD6273 Approved
0.6983 Remote Similarity NPD7251 Discontinued
0.6977 Remote Similarity NPD4381 Clinical (unspecified phase)
0.697 Remote Similarity NPD7390 Discontinued
0.6966 Remote Similarity NPD7074 Phase 3
0.695 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6944 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6943 Remote Similarity NPD3764 Approved
0.6941 Remote Similarity NPD1934 Approved
0.6939 Remote Similarity NPD5951 Approved
0.6933 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6928 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6928 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6928 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6797 Phase 2
0.6927 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3882 Suspended
0.6914 Remote Similarity NPD2346 Discontinued
0.6911 Remote Similarity NPD7497 Discontinued
0.691 Remote Similarity NPD7054 Approved
0.6901 Remote Similarity NPD5761 Phase 2
0.6901 Remote Similarity NPD5760 Phase 2
0.6901 Remote Similarity NPD8455 Phase 2
0.6889 Remote Similarity NPD7685 Pre-registration
0.6887 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6213 Phase 3
0.6882 Remote Similarity NPD6212 Phase 3
0.6882 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2182 Approved
0.6872 Remote Similarity NPD7472 Approved
0.6867 Remote Similarity NPD7741 Discontinued
0.6854 Remote Similarity NPD3818 Discontinued
0.6854 Remote Similarity NPD7228 Approved
0.6852 Remote Similarity NPD5408 Approved
0.6852 Remote Similarity NPD5405 Approved
0.6852 Remote Similarity NPD5406 Approved
0.6852 Remote Similarity NPD5404 Approved
0.6842 Remote Similarity NPD37 Approved
0.6839 Remote Similarity NPD6234 Discontinued
0.6832 Remote Similarity NPD7097 Phase 1
0.6826 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6826 Remote Similarity NPD2533 Approved
0.6826 Remote Similarity NPD2534 Approved
0.6826 Remote Similarity NPD2532 Approved
0.6826 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6821 Remote Similarity NPD4965 Approved
0.6821 Remote Similarity NPD4967 Phase 2
0.6821 Remote Similarity NPD4966 Approved
0.6813 Remote Similarity NPD230 Phase 1
0.6802 Remote Similarity NPD2801 Approved
0.6796 Remote Similarity NPD6764 Approved
0.6796 Remote Similarity NPD6765 Approved
0.6795 Remote Similarity NPD6007 Clinical (unspecified phase)
0.679 Remote Similarity NPD1509 Clinical (unspecified phase)
0.679 Remote Similarity NPD2799 Discontinued
0.6789 Remote Similarity NPD8285 Discontinued
0.6782 Remote Similarity NPD3749 Approved
0.6781 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6776 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6823 Phase 2
0.6748 Remote Similarity NPD2796 Approved
0.6746 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6731 Remote Similarity NPD1470 Approved
0.673 Remote Similarity NPD2313 Discontinued
0.6711 Remote Similarity NPD690 Clinical (unspecified phase)
0.6708 Remote Similarity NPD6355 Discontinued
0.6705 Remote Similarity NPD1465 Phase 2
0.6703 Remote Similarity NPD7240 Approved
0.6703 Remote Similarity NPD6559 Discontinued
0.6689 Remote Similarity NPD7610 Discontinued
0.6688 Remote Similarity NPD6287 Discontinued
0.6687 Remote Similarity NPD1510 Phase 2
0.6687 Remote Similarity NPD3750 Approved
0.6687 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1512 Approved
0.6685 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6684 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7095 Approved
0.6667 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1549 Phase 2
0.6667 Remote Similarity NPD5125 Phase 3
0.6667 Remote Similarity NPD970 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5126 Approved
0.6649 Remote Similarity NPD6784 Approved
0.6649 Remote Similarity NPD6785 Approved
0.6646 Remote Similarity NPD2935 Discontinued
0.6644 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6625 Remote Similarity NPD6798 Discontinued
0.6623 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6623 Remote Similarity NPD8328 Phase 3
0.6622 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6607 Remote Similarity NPD3300 Phase 2
0.6606 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6606 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6606 Remote Similarity NPD7266 Discontinued
0.6606 Remote Similarity NPD1471 Phase 3
0.6606 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6597 Remote Similarity NPD164 Approved
0.6592 Remote Similarity NPD3926 Phase 2
0.6585 Remote Similarity NPD3748 Approved
0.6584 Remote Similarity NPD7713 Phase 3
0.6584 Remote Similarity NPD6233 Phase 2
0.6583 Remote Similarity NPD7783 Phase 2
0.6583 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6858 Approved
0.6577 Remote Similarity NPD7094 Approved
0.6575 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6573 Remote Similarity NPD7199 Phase 2

Structure

External Identifiers

PubChem CID   10439492
ChEMBL   CHEMBL447412
ZINC  

Physicochemical Properties

Molecular Weight:  674.27
ALogP:  0.3619
MLogP:  4.43
XLogP:  7.419
# Rotatable Bonds:  18
Polar Surface Area:  159.57
# H-Bond Aceptor:  11
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  49

Download Data

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Biological Activities  
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