Natural Product: NPC26033

Natural Product ID:  NPC26033
Common Name:   Orthosiphol R
IUPAC Name:   [(2S,3S,4S,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-3,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
Synonyms:   Orthosiphol R
Molecular Formula:   C38H44O12
Standard InCHIKey:  UVLMOXBOUWFDIG-PQEFSWHNSA-N
Standard InCHI:  InChI=1S/C38H44O12/c1-8-36(6)29(42)27(49-32(43)22-15-11-9-12-16-22)28-37(7)24(19-25(47-20(2)39)38(28,46)34(36)45)35(4,5)30(48-21(3)40)26(41)31(37)50-33(44)23-17-13-10-14-18-23/h8-18,24-31,41-42,46H,1,19H2,2-7H3/t24-,25+,26-,27-,28+,29+,30+,31-,36-,37-,38-/m0/s1
Canonical SMILES:  C=C[C@@]1(C)[C@H](O)[C@@H](OC(=O)c2ccccc2)[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](O)[C@H](C1(C)C)OC(=O)C
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]
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota UNPD*
NPO22015 Clausena indica Species Rutaceae Eukaryota UNPD*
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota UNPD*
NPO8541 Oryza sativa Species Poaceae Eukaryota UNPD*
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota UNPD*
NPO23141 Angelica ursina Species Apiaceae Eukaryota UNPD*
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota UNPD*
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota UNPD*
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota TCMID*
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota UNPD*
NPO21807 Lindera umbellata Species Lauraceae Eukaryota UNPD*
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota UNPD*
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota UNPD*
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota UNPD*
NPO23183 Pinus halepensis Species Pinaceae Eukaryota UNPD*
NPO5511 Populus tremula Species Salicaceae Eukaryota UNPD*
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota UNPD*
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota UNPD*
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota UNPD*
NPO3549 Euonymus maackii Species Celastraceae Eukaryota UNPD*
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota UNPD*
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota UNPD*
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota UNPD*
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota UNPD*
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota UNPD*
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota UNPD*
NPO23226 Satureja montana Species Lamiaceae Eukaryota UNPD*
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota UNPD*
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota UNPD*
NPO14529 Asterias rubens Species Asteriidae Eukaryota UNPD*
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota UNPD*
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota UNPD*
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota UNPD*
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota UNPD*
NPO2499 Celmisia petriei Species Asteraceae Eukaryota UNPD*
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota UNPD*
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota UNPD*
NPO10073 Clusia torresii Species Clusiaceae Eukaryota UNPD*
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota UNPD*
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota UNPD*
NPO21881 Stephania succifera Species Menispermaceae Eukaryota UNPD*
NPO5877 Morus yunnanensis Species Moraceae Eukaryota UNPD*
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota UNPD*
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota UNPD*
NPO21745 Phleum africanum Species Poaceae Eukaryota UNPD*
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota UNPD*
NPO23062 Melibe leonina Species Dendronotidae Eukaryota UNPD*
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota UNPD*
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota UNPD*
NPO29219 Primula veris Species Primulaceae Eukaryota UNPD*
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota UNPD*
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 35700 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 NPC26033 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 NPC228204
0.9931 High Similarity NPC249471
0.9931 High Similarity NPC265395
0.9931 High Similarity NPC473414
0.9931 High Similarity NPC256142
0.9931 High Similarity NPC304876
0.9931 High Similarity NPC237549
0.9931 High Similarity NPC472030
0.9931 High Similarity NPC158333
0.9931 High Similarity NPC472005
0.9931 High Similarity NPC472022
0.9931 High Similarity NPC257213
0.9931 High Similarity NPC1173
0.9931 High Similarity NPC242262
0.9862 High Similarity NPC112523
0.9862 High Similarity NPC114410
0.9793 High Similarity NPC77719
0.9728 High Similarity NPC469771
0.9722 High Similarity NPC7095
0.9662 High Similarity NPC471102
0.966 High Similarity NPC106895
0.9653 High Similarity NPC250046
0.9653 High Similarity NPC81698
0.9653 High Similarity NPC60509
0.9592 High Similarity NPC282239
0.9586 High Similarity NPC198455
0.9586 High Similarity NPC112216
0.9586 High Similarity NPC161239
0.9586 High Similarity NPC165260
0.9463 High Similarity NPC472393
0.9459 High Similarity NPC472549
0.9456 High Similarity NPC477905
0.9444 High Similarity NPC127857
0.9396 High Similarity NPC217091
0.9388 High Similarity NPC470153
0.9388 High Similarity NPC51602
0.9388 High Similarity NPC471103
0.9324 High Similarity NPC472548
0.932 High Similarity NPC473214
0.932 High Similarity NPC470245
0.932 High Similarity NPC254558
0.9257 High Similarity NPC101043
0.9257 High Similarity NPC306799
0.9252 High Similarity NPC92293
0.9252 High Similarity NPC473215
0.9252 High Similarity NPC301556
0.9252 High Similarity NPC270590
0.9252 High Similarity NPC471101
0.9252 High Similarity NPC476975
0.9252 High Similarity NPC266265
0.92 High Similarity NPC21410
0.92 High Similarity NPC473670
0.9184 High Similarity NPC281717
0.9178 High Similarity NPC184817
0.9178 High Similarity NPC174982
0.9178 High Similarity NPC158663
0.9178 High Similarity NPC472572
0.9178 High Similarity NPC471104
0.9178 High Similarity NPC476973
0.9178 High Similarity NPC29704
0.9178 High Similarity NPC473088
0.9178 High Similarity NPC177940
0.9178 High Similarity NPC171525
0.9178 High Similarity NPC469349
0.9178 High Similarity NPC472575
0.9178 High Similarity NPC472568
0.9178 High Similarity NPC96903
0.9178 High Similarity NPC200471
0.9178 High Similarity NPC470157
0.9178 High Similarity NPC70403
0.9178 High Similarity NPC470159
0.9178 High Similarity NPC472571
0.915 High Similarity NPC476077
0.9133 High Similarity NPC229545
0.9133 High Similarity NPC134685
0.9133 High Similarity NPC219419
0.9133 High Similarity NPC248265
0.9133 High Similarity NPC11588
0.911 High Similarity NPC95810
0.911 High Similarity NPC475759
0.911 High Similarity NPC125106
0.911 High Similarity NPC188865
0.911 High Similarity NPC476974
0.911 High Similarity NPC163719
0.911 High Similarity NPC472573
0.911 High Similarity NPC475122
0.911 High Similarity NPC25768
0.911 High Similarity NPC95265
0.911 High Similarity NPC11685
0.911 High Similarity NPC472569
0.911 High Similarity NPC470152
0.911 High Similarity NPC472570
0.911 High Similarity NPC57628
0.911 High Similarity NPC70716
0.911 High Similarity NPC241951
0.9103 High Similarity NPC182869
0.9073 High Similarity NPC259144
0.9073 High Similarity NPC114357
0.9073 High Similarity NPC155329
0.906 High Similarity NPC91730
0.9048 High Similarity NPC471100
0.9048 High Similarity NPC472556
0.9048 High Similarity NPC471107
0.9041 High Similarity NPC163087
0.9 High Similarity NPC197037
0.8987 High Similarity NPC477473
0.8987 High Similarity NPC477466
0.8987 High Similarity NPC477469
0.8987 High Similarity NPC477471
0.898 High Similarity NPC470231
0.8947 High Similarity NPC473611
0.8947 High Similarity NPC473632
0.8947 High Similarity NPC469730
0.8947 High Similarity NPC132599
0.8926 High Similarity NPC217918
0.8912 High Similarity NPC139067
0.8912 High Similarity NPC270498
0.8912 High Similarity NPC475429
0.8912 High Similarity NPC191082
0.8912 High Similarity NPC477468
0.8912 High Similarity NPC477894
0.8912 High Similarity NPC147217
0.8912 High Similarity NPC177340
0.8912 High Similarity NPC473673
0.8912 High Similarity NPC246480
0.891 High Similarity NPC66193
0.891 High Similarity NPC329960
0.891 High Similarity NPC295408
0.891 High Similarity NPC150893
0.8904 High Similarity NPC87448
0.8904 High Similarity NPC97947
0.8904 High Similarity NPC16912
0.8904 High Similarity NPC291599
0.8904 High Similarity NPC27377
0.8904 High Similarity NPC472576
0.8904 High Similarity NPC213567
0.8904 High Similarity NPC41481
0.8904 High Similarity NPC118080
0.8896 High Similarity NPC469399
0.8889 High Similarity NPC11410
0.8859 High Similarity NPC474935
0.8854 High Similarity NPC471493
0.8854 High Similarity NPC471134
0.8851 High Similarity NPC51314
0.8851 High Similarity NPC67777
0.8844 High Similarity NPC34012
0.8836 High Similarity NPC97667
0.8836 High Similarity NPC4341
0.8836 High Similarity NPC90614
0.8836 High Similarity NPC476094
0.8836 High Similarity NPC275592
0.8836 High Similarity NPC473081
0.8836 High Similarity NPC473085
0.8836 High Similarity NPC200592
0.8836 High Similarity NPC147880
0.8836 High Similarity NPC473060
0.8836 High Similarity NPC473109
0.8836 High Similarity NPC473112
0.8836 High Similarity NPC48017
0.8836 High Similarity NPC43241
0.8836 High Similarity NPC184747
0.8836 High Similarity NPC473758
0.8836 High Similarity NPC100913
0.8836 High Similarity NPC473613
0.8836 High Similarity NPC211137
0.8836 High Similarity NPC171207
0.8831 High Similarity NPC469417
0.8824 High Similarity NPC251139
0.8805 High Similarity NPC102465
0.8797 High Similarity NPC61891
0.8792 High Similarity NPC277053
0.8792 High Similarity NPC301946
0.8776 High Similarity NPC224491
0.8767 High Similarity NPC475652
0.8767 High Similarity NPC214550
0.8767 High Similarity NPC210591
0.8733 High Similarity NPC473602
0.8725 High Similarity NPC471912
0.8725 High Similarity NPC80895
0.8716 High Similarity NPC472546
0.8707 High Similarity NPC472547
0.8704 High Similarity NPC469421
0.8699 High Similarity NPC283375
0.8699 High Similarity NPC183122
0.8693 High Similarity NPC22571
0.8693 High Similarity NPC138641
0.8693 High Similarity NPC469648
0.8693 High Similarity NPC469647
0.8693 High Similarity NPC283875
0.869 High Similarity NPC477893
0.869 High Similarity NPC477896
0.8688 High Similarity NPC469420
0.8688 High Similarity NPC40138
0.8679 High Similarity NPC477491
0.8658 High Similarity NPC91703
0.8654 High Similarity NPC472807
0.8636 High Similarity NPC133430
0.8636 High Similarity NPC469477
0.8609 High Similarity NPC477737
0.8609 High Similarity NPC475552

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC26033 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
0.8263 Intermediate Similarity NPD8368 Discontinued
0.8246 Intermediate Similarity NPD8361 Approved
0.8246 Intermediate Similarity NPD8435 Approved
0.8246 Intermediate Similarity NPD8360 Approved
0.8182 Intermediate Similarity NPD7236 Approved
0.8171 Intermediate Similarity NPD8485 Approved
0.8133 Intermediate Similarity NPD7799 Discontinued
0.8129 Intermediate Similarity NPD8434 Phase 2
0.8118 Intermediate Similarity NPD8407 Phase 2
0.8038 Intermediate Similarity NPD7239 Suspended
0.8034 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD8150 Discontinued
0.7943 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD7057 Phase 3
0.759 Intermediate Similarity NPD7058 Phase 2
0.7582 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD6190 Approved
0.7543 Intermediate Similarity NPD8313 Approved
0.7543 Intermediate Similarity NPD8312 Approved
0.7528 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD7699 Phase 2
0.7527 Intermediate Similarity NPD7700 Phase 2
0.7484 Intermediate Similarity NPD8166 Discontinued
0.7473 Intermediate Similarity NPD8319 Approved
0.7473 Intermediate Similarity NPD8320 Phase 1
0.747 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD6535 Approved
0.7459 Intermediate Similarity NPD6534 Approved
0.744 Intermediate Similarity NPD7075 Discontinued
0.7439 Intermediate Similarity NPD7458 Discontinued
0.7419 Intermediate Similarity NPD7435 Discontinued
0.7403 Intermediate Similarity NPD7961 Discontinued
0.7394 Intermediate Similarity NPD6599 Discontinued
0.7386 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD4628 Phase 3
0.7371 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7819 Suspended
0.7341 Intermediate Similarity NPD7473 Discontinued
0.7321 Intermediate Similarity NPD5402 Approved
0.7305 Intermediate Similarity NPD6801 Discontinued
0.7289 Intermediate Similarity NPD4380 Phase 2
0.7287 Intermediate Similarity NPD7870 Phase 2
0.7287 Intermediate Similarity NPD7871 Phase 2
0.7283 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD6166 Phase 2
0.7283 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD7874 Approved
0.7277 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7008 Discontinued
0.7267 Intermediate Similarity NPD3787 Discontinued
0.7258 Intermediate Similarity NPD6780 Approved
0.7258 Intermediate Similarity NPD6778 Approved
0.7258 Intermediate Similarity NPD6781 Approved
0.7258 Intermediate Similarity NPD6777 Approved
0.7258 Intermediate Similarity NPD6776 Approved
0.7258 Intermediate Similarity NPD6779 Approved
0.7258 Intermediate Similarity NPD6782 Approved
0.7257 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD5844 Phase 1
0.7241 Intermediate Similarity NPD2629 Approved
0.7234 Intermediate Similarity NPD7697 Approved
0.7234 Intermediate Similarity NPD7698 Approved
0.7234 Intermediate Similarity NPD7696 Phase 3
0.7219 Intermediate Similarity NPD3817 Phase 2
0.7209 Intermediate Similarity NPD8127 Discontinued
0.7202 Intermediate Similarity NPD8462 Phase 1
0.72 Intermediate Similarity NPD3751 Discontinued
0.7192 Intermediate Similarity NPD4198 Discontinued
0.7176 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD7701 Phase 2
0.7168 Intermediate Similarity NPD6232 Discontinued
0.715 Intermediate Similarity NPD7801 Approved
0.7134 Intermediate Similarity NPD6799 Approved
0.7118 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD5403 Approved
0.7095 Intermediate Similarity NPD7808 Phase 3
0.7095 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5401 Approved
0.7086 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD8404 Phase 2
0.7055 Intermediate Similarity NPD7003 Approved
0.7052 Intermediate Similarity NPD5494 Approved
0.7048 Intermediate Similarity NPD6273 Approved
0.7047 Intermediate Similarity NPD8151 Discontinued
0.7041 Intermediate Similarity NPD7411 Suspended
0.7039 Intermediate Similarity NPD7251 Discontinued
0.7035 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3226 Approved
0.7022 Intermediate Similarity NPD7074 Phase 3
0.7011 Intermediate Similarity NPD6959 Discontinued
0.7 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6797 Phase 2
0.6977 Remote Similarity NPD7768 Phase 2
0.6975 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7054 Approved
0.6963 Remote Similarity NPD7497 Discontinued
0.6959 Remote Similarity NPD5760 Phase 2
0.6959 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5761 Phase 2
0.6959 Remote Similarity NPD8455 Phase 2
0.6944 Remote Similarity NPD7685 Pre-registration
0.6935 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6935 Remote Similarity NPD6212 Phase 3
0.6935 Remote Similarity NPD6213 Phase 3
0.6933 Remote Similarity NPD7741 Discontinued
0.6928 Remote Similarity NPD7390 Discontinued
0.6927 Remote Similarity NPD7472 Approved
0.6911 Remote Similarity NPD6823 Phase 2
0.691 Remote Similarity NPD3818 Discontinued
0.691 Remote Similarity NPD7228 Approved
0.6901 Remote Similarity NPD37 Approved
0.6901 Remote Similarity NPD1934 Approved
0.6899 Remote Similarity NPD3764 Approved
0.6897 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6892 Remote Similarity NPD5951 Approved
0.6891 Remote Similarity NPD7211 Clinical (unspecified phase)
0.689 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6886 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6886 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3882 Suspended
0.6879 Remote Similarity NPD4967 Phase 2
0.6879 Remote Similarity NPD4966 Approved
0.6879 Remote Similarity NPD4965 Approved
0.6871 Remote Similarity NPD2346 Discontinued
0.686 Remote Similarity NPD2801 Approved
0.6859 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6851 Remote Similarity NPD6765 Approved
0.6851 Remote Similarity NPD6764 Approved
0.6842 Remote Similarity NPD3412 Clinical (unspecified phase)
0.681 Remote Similarity NPD5404 Approved
0.681 Remote Similarity NPD5408 Approved
0.681 Remote Similarity NPD5406 Approved
0.681 Remote Similarity NPD5405 Approved
0.68 Remote Similarity NPD6234 Discontinued
0.6786 Remote Similarity NPD2532 Approved
0.6786 Remote Similarity NPD2534 Approved
0.6786 Remote Similarity NPD2533 Approved
0.677 Remote Similarity NPD230 Phase 1
0.6759 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7240 Approved
0.6758 Remote Similarity NPD6559 Discontinued
0.6748 Remote Similarity NPD2799 Discontinued
0.6743 Remote Similarity NPD3749 Approved
0.6737 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6735 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6732 Remote Similarity NPD5126 Approved
0.6732 Remote Similarity NPD5125 Phase 3
0.6732 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6725 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7783 Phase 2
0.6712 Remote Similarity NPD2182 Approved
0.6707 Remote Similarity NPD2796 Approved
0.6707 Remote Similarity NPD2935 Discontinued
0.6706 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6703 Remote Similarity NPD6784 Approved
0.6703 Remote Similarity NPD6785 Approved
0.6688 Remote Similarity NPD8328 Phase 3
0.6687 Remote Similarity NPD2313 Discontinued
0.6687 Remote Similarity NPD7097 Phase 1
0.6667 Remote Similarity NPD6355 Discontinued
0.6667 Remote Similarity NPD7266 Discontinued
0.6667 Remote Similarity NPD3300 Phase 2
0.6667 Remote Similarity NPD1465 Phase 2
0.6667 Remote Similarity NPD8285 Discontinued
0.6667 Remote Similarity NPD690 Clinical (unspecified phase)
0.6648 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6647 Remote Similarity NPD1512 Approved
0.6647 Remote Similarity NPD3750 Approved
0.6646 Remote Similarity NPD6233 Phase 2
0.6646 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1510 Phase 2
0.6645 Remote Similarity NPD7610 Discontinued
0.6645 Remote Similarity NPD6287 Discontinued
0.6629 Remote Similarity NPD7199 Phase 2
0.6628 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6627 Remote Similarity NPD970 Clinical (unspecified phase)
0.6627 Remote Similarity NPD1549 Phase 2
0.6625 Remote Similarity NPD7095 Approved
0.6622 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6621 Remote Similarity NPD5048 Discontinued
0.6607 Remote Similarity NPD7274 Clinical (unspecified phase)
0.66 Remote Similarity NPD6010 Discontinued
0.6599 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6584 Remote Similarity NPD6798 Discontinued
0.6582 Remote Similarity NPD1470 Approved
0.6581 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6577 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6566 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6566 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6552 Remote Similarity NPD1237 Approved
0.6545 Remote Similarity NPD7033 Discontinued
0.6545 Remote Similarity NPD3748 Approved

Structure

External Identifiers

PubChem CID   44583688
ChEMBL   CHEMBL508513
ZINC  

Physicochemical Properties

Molecular Weight:  692.28
ALogP:  -0.3201
MLogP:  4.32
XLogP:  6.802
# Rotatable Bonds:  20
Polar Surface Area:  182.96
# H-Bond Aceptor:  12
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  50

Download Data

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