Natural Product: NPC112216

Natural Product ID:  NPC112216
Common Name:   Orthosiphol J
IUPAC Name:   [(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-2,3,9-triacetyloxy-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate
Synonyms:   Orthosiphol J
Molecular Formula:   C33H40O11
Standard InCHIKey:  HOFNFIRZXJMXPW-LEWITGLZSA-N
Standard InCHI:  InChI=1S/C33H40O11/c1-9-31(7)16-21(37)25-32(8)22(15-23(41-17(2)34)33(25,40)29(31)39)30(5,6)26(43-19(4)36)24(42-18(3)35)27(32)44-28(38)20-13-11-10-12-14-20/h9-14,22-27,40H,1,15-16H2,2-8H3/t22-,23+,24-,25+,26+,27-,31-,32-,33-/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)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]
NPO21745 Phleum africanum Species Poaceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota TCMID*
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota UNPD*
NPO5877 Morus yunnanensis Species Moraceae Eukaryota UNPD*
NPO5511 Populus tremula Species Salicaceae Eukaryota UNPD*
NPO10073 Clusia torresii Species Clusiaceae Eukaryota UNPD*
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota UNPD*
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota UNPD*
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota UNPD*
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota UNPD*
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota UNPD*
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota UNPD*
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota UNPD*
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota UNPD*
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota UNPD*
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota UNPD*
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota UNPD*
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota UNPD*
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota UNPD*
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota UNPD*
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota UNPD*
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota UNPD*
NPO29219 Primula veris Species Primulaceae Eukaryota UNPD*
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota UNPD*
NPO22015 Clausena indica Species Rutaceae Eukaryota UNPD*
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota UNPD*
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota UNPD*
NPO23062 Melibe leonina Species Dendronotidae Eukaryota UNPD*
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota UNPD*
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota UNPD*
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota UNPD*
NPO2499 Celmisia petriei Species Asteraceae Eukaryota UNPD*
NPO14529 Asterias rubens Species Asteriidae Eukaryota UNPD*
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota UNPD*
NPO3549 Euonymus maackii Species Celastraceae Eukaryota UNPD*
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota UNPD*
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota UNPD*
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota UNPD*
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota UNPD*
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota UNPD*
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota UNPD*
NPO21807 Lindera umbellata Species Lauraceae Eukaryota UNPD*
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota UNPD*
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota UNPD*
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota UNPD*
NPO21881 Stephania succifera Species Menispermaceae Eukaryota UNPD*
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota UNPD*
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota UNPD*
NPO23226 Satureja montana Species Lamiaceae Eukaryota UNPD*
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota UNPD*
NPO8541 Oryza sativa Species Poaceae Eukaryota UNPD*
NPO23183 Pinus halepensis Species Pinaceae Eukaryota UNPD*
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota UNPD*
NPO23141 Angelica ursina Species Apiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 66300 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 NPC112216 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
0.9858 High Similarity NPC161239
0.9858 High Similarity NPC165260
0.9858 High Similarity NPC7095
0.9858 High Similarity NPC198455
0.979 High Similarity NPC77719
0.9787 High Similarity NPC60509
0.9787 High Similarity NPC81698
0.9787 High Similarity NPC250046
0.9722 High Similarity NPC112523
0.9722 High Similarity NPC114410
0.9714 High Similarity NPC127857
0.9653 High Similarity NPC304876
0.9653 High Similarity NPC473414
0.9653 High Similarity NPC256142
0.9653 High Similarity NPC257213
0.9653 High Similarity NPC472005
0.9653 High Similarity NPC158333
0.9653 High Similarity NPC472030
0.9653 High Similarity NPC249471
0.9653 High Similarity NPC1173
0.9653 High Similarity NPC472022
0.9653 High Similarity NPC265395
0.9653 High Similarity NPC242262
0.9653 High Similarity NPC237549
0.9586 High Similarity NPC282239
0.9586 High Similarity NPC26033
0.9586 High Similarity NPC228204
0.9521 High Similarity NPC106895
0.9521 High Similarity NPC217091
0.9514 High Similarity NPC51602
0.9514 High Similarity NPC306799
0.9514 High Similarity NPC101043
0.9456 High Similarity NPC472393
0.9456 High Similarity NPC469771
0.9392 High Similarity NPC471102
0.9379 High Similarity NPC471103
0.932 High Similarity NPC21410
0.932 High Similarity NPC472549
0.932 High Similarity NPC473670
0.9315 High Similarity NPC477905
0.931 High Similarity NPC254558
0.9247 High Similarity NPC470153
0.9225 High Similarity NPC182869
0.9184 High Similarity NPC472548
0.9178 High Similarity NPC470245
0.9178 High Similarity NPC473214
0.9167 High Similarity NPC471100
0.9167 High Similarity NPC471107
0.9122 High Similarity NPC248265
0.9122 High Similarity NPC11588
0.9122 High Similarity NPC229545
0.9122 High Similarity NPC134685
0.9122 High Similarity NPC219419
0.911 High Similarity NPC473215
0.911 High Similarity NPC476975
0.9097 High Similarity NPC472570
0.9097 High Similarity NPC70716
0.9097 High Similarity NPC125106
0.9097 High Similarity NPC25768
0.9097 High Similarity NPC57628
0.9097 High Similarity NPC11685
0.9097 High Similarity NPC163719
0.9097 High Similarity NPC476974
0.9097 High Similarity NPC472573
0.9097 High Similarity NPC472569
0.9097 High Similarity NPC188865
0.9097 High Similarity NPC95265
0.9097 High Similarity NPC95810
0.906 High Similarity NPC473611
0.906 High Similarity NPC259144
0.906 High Similarity NPC155329
0.906 High Similarity NPC114357
0.9048 High Similarity NPC91730
0.9034 High Similarity NPC472556
0.9034 High Similarity NPC472572
0.9034 High Similarity NPC177940
0.9034 High Similarity NPC472575
0.9034 High Similarity NPC29704
0.9034 High Similarity NPC471104
0.9034 High Similarity NPC476973
0.9034 High Similarity NPC473088
0.9034 High Similarity NPC174982
0.9034 High Similarity NPC70403
0.9034 High Similarity NPC472568
0.9034 High Similarity NPC470157
0.9034 High Similarity NPC184817
0.9034 High Similarity NPC470159
0.9034 High Similarity NPC200471
0.9034 High Similarity NPC469349
0.9034 High Similarity NPC472571
0.9034 High Similarity NPC158663
0.9034 High Similarity NPC96903
0.9034 High Similarity NPC171525
0.9028 High Similarity NPC477894
0.9021 High Similarity NPC16912
0.8986 High Similarity NPC197037
0.8966 High Similarity NPC241951
0.8966 High Similarity NPC470152
0.8966 High Similarity NPC80895
0.8966 High Similarity NPC475759
0.8966 High Similarity NPC471912
0.8966 High Similarity NPC475122
0.8966 High Similarity NPC470231
0.8958 High Similarity NPC472546
0.8951 High Similarity NPC97667
0.8951 High Similarity NPC171207
0.8933 High Similarity NPC473632
0.8933 High Similarity NPC469730
0.8933 High Similarity NPC132599
0.8912 High Similarity NPC217918
0.8912 High Similarity NPC281717
0.8904 High Similarity NPC301946
0.8904 High Similarity NPC277053
0.8897 High Similarity NPC163087
0.8889 High Similarity NPC27377
0.8889 High Similarity NPC291599
0.8889 High Similarity NPC41481
0.8889 High Similarity NPC97947
0.8889 High Similarity NPC224491
0.8889 High Similarity NPC213567
0.8889 High Similarity NPC118080
0.8889 High Similarity NPC472576
0.8889 High Similarity NPC87448
0.8889 High Similarity NPC476077
0.8874 High Similarity NPC11410
0.8851 High Similarity NPC270590
0.8851 High Similarity NPC301556
0.8851 High Similarity NPC266265
0.8851 High Similarity NPC92293
0.8851 High Similarity NPC471101
0.8844 High Similarity NPC475552
0.8844 High Similarity NPC474935
0.8844 High Similarity NPC473602
0.8839 High Similarity NPC471493
0.8828 High Similarity NPC34012
0.8819 High Similarity NPC473112
0.8819 High Similarity NPC183270
0.8819 High Similarity NPC476094
0.8819 High Similarity NPC477904
0.8819 High Similarity NPC275592
0.8819 High Similarity NPC473081
0.8819 High Similarity NPC473085
0.8819 High Similarity NPC200592
0.8819 High Similarity NPC473613
0.8819 High Similarity NPC147880
0.8819 High Similarity NPC90614
0.8819 High Similarity NPC4341
0.8819 High Similarity NPC473060
0.8819 High Similarity NPC48017
0.8819 High Similarity NPC43241
0.8819 High Similarity NPC184747
0.8819 High Similarity NPC473109
0.8819 High Similarity NPC473758
0.8819 High Similarity NPC100913
0.8819 High Similarity NPC211137
0.8819 High Similarity NPC472547
0.8816 High Similarity NPC469417
0.8808 High Similarity NPC251139
0.8803 High Similarity NPC477893
0.8803 High Similarity NPC477896
0.879 High Similarity NPC102465
0.8774 High Similarity NPC150893
0.8774 High Similarity NPC329960
0.8774 High Similarity NPC66193
0.8774 High Similarity NPC295408
0.8767 High Similarity NPC91703
0.8758 High Similarity NPC469399
0.875 High Similarity NPC210591
0.875 High Similarity NPC214550
0.875 High Similarity NPC475652
0.8741 High Similarity NPC472551
0.8741 High Similarity NPC472545
0.8725 High Similarity NPC473403
0.8718 High Similarity NPC471134
0.8716 High Similarity NPC477737
0.871 High Similarity NPC55744
0.8681 High Similarity NPC283375
0.8681 High Similarity NPC39549
0.8681 High Similarity NPC183122
0.8675 High Similarity NPC22571
0.8675 High Similarity NPC283875
0.8675 High Similarity NPC469648
0.8675 High Similarity NPC138641
0.8675 High Similarity NPC469647
0.8671 High Similarity NPC291638
0.8671 High Similarity NPC472577
0.8671 High Similarity NPC17877
0.8671 High Similarity NPC195647
0.8671 High Similarity NPC66761
0.8662 High Similarity NPC61891
0.8639 High Similarity NPC191082
0.8639 High Similarity NPC147217
0.8639 High Similarity NPC270498
0.8639 High Similarity NPC475429
0.8639 High Similarity NPC473673
0.8639 High Similarity NPC177340
0.8639 High Similarity NPC246480
0.8639 High Similarity NPC139067
0.8639 High Similarity NPC95449
0.8639 High Similarity NPC477468

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC112216 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
0.8278 Intermediate Similarity NPD7236 Approved
0.8242 Intermediate Similarity NPD8368 Discontinued
0.8221 Intermediate Similarity NPD7799 Discontinued
0.8129 Intermediate Similarity NPD7239 Suspended
0.8118 Intermediate Similarity NPD8360 Approved
0.8118 Intermediate Similarity NPD8361 Approved
0.8118 Intermediate Similarity NPD8435 Approved
0.8107 Intermediate Similarity NPD8434 Phase 2
0.8095 Intermediate Similarity NPD8407 Phase 2
0.7943 Intermediate Similarity NPD8485 Approved
0.7895 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7809 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD8150 Discontinued
0.7785 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD7961 Discontinued
0.7669 Intermediate Similarity NPD7057 Phase 3
0.7669 Intermediate Similarity NPD7058 Phase 2
0.763 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD7075 Discontinued
0.7515 Intermediate Similarity NPD7473 Discontinued
0.7469 Intermediate Similarity NPD6599 Discontinued
0.7467 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD8166 Discontinued
0.7446 Intermediate Similarity NPD8320 Phase 1
0.7446 Intermediate Similarity NPD8319 Approved
0.7439 Intermediate Similarity NPD7819 Suspended
0.7405 Intermediate Similarity NPD6190 Approved
0.7403 Intermediate Similarity NPD7699 Phase 2
0.7403 Intermediate Similarity NPD7700 Phase 2
0.7394 Intermediate Similarity NPD4198 Discontinued
0.7351 Intermediate Similarity NPD7008 Discontinued
0.7342 Intermediate Similarity NPD4628 Phase 3
0.7337 Intermediate Similarity NPD6232 Discontinued
0.7333 Intermediate Similarity NPD6534 Approved
0.7333 Intermediate Similarity NPD6535 Approved
0.7324 Intermediate Similarity NPD2629 Approved
0.7314 Intermediate Similarity NPD8312 Approved
0.7314 Intermediate Similarity NPD8313 Approved
0.7303 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD7458 Discontinued
0.7297 Intermediate Similarity NPD7435 Discontinued
0.7289 Intermediate Similarity NPD3817 Phase 2
0.7278 Intermediate Similarity NPD8127 Discontinued
0.7273 Intermediate Similarity NPD6801 Discontinued
0.7256 Intermediate Similarity NPD4380 Phase 2
0.7246 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD6799 Approved
0.7195 Intermediate Similarity NPD3226 Approved
0.7186 Intermediate Similarity NPD5402 Approved
0.7186 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7874 Approved
0.7151 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6166 Phase 2
0.7151 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6779 Approved
0.7135 Intermediate Similarity NPD6777 Approved
0.7135 Intermediate Similarity NPD6776 Approved
0.7135 Intermediate Similarity NPD6781 Approved
0.7135 Intermediate Similarity NPD6778 Approved
0.7135 Intermediate Similarity NPD6780 Approved
0.7135 Intermediate Similarity NPD6782 Approved
0.7126 Intermediate Similarity NPD5844 Phase 1
0.7126 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD7697 Approved
0.7112 Intermediate Similarity NPD7696 Phase 3
0.7112 Intermediate Similarity NPD7698 Approved
0.7108 Intermediate Similarity NPD7411 Suspended
0.7083 Intermediate Similarity NPD8462 Phase 1
0.7074 Intermediate Similarity NPD7870 Phase 2
0.7074 Intermediate Similarity NPD7871 Phase 2
0.7073 Intermediate Similarity NPD5403 Approved
0.7069 Intermediate Similarity NPD3751 Discontinued
0.7055 Intermediate Similarity NPD5401 Approved
0.7053 Intermediate Similarity NPD7701 Phase 2
0.7052 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7768 Phase 2
0.7035 Intermediate Similarity NPD3787 Discontinued
0.7031 Intermediate Similarity NPD7801 Approved
0.7027 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD8404 Phase 2
0.7024 Intermediate Similarity NPD5760 Phase 2
0.7024 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5761 Phase 2
0.7021 Intermediate Similarity NPD2182 Approved
0.7018 Intermediate Similarity NPD5494 Approved
0.7012 Intermediate Similarity NPD6273 Approved
0.7007 Intermediate Similarity NPD7741 Discontinued
0.7 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.6977 Remote Similarity NPD6959 Discontinued
0.6968 Remote Similarity NPD3764 Approved
0.6966 Remote Similarity NPD5951 Approved
0.6966 Remote Similarity NPD7808 Phase 3
0.6966 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6964 Remote Similarity NPD1934 Approved
0.6957 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6951 Remote Similarity NPD2533 Approved
0.6951 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6951 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6951 Remote Similarity NPD2532 Approved
0.6951 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6951 Remote Similarity NPD2534 Approved
0.6943 Remote Similarity NPD230 Phase 1
0.6941 Remote Similarity NPD3882 Suspended
0.6937 Remote Similarity NPD2346 Discontinued
0.6931 Remote Similarity NPD7497 Discontinued
0.6928 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6927 Remote Similarity NPD8151 Discontinued
0.6923 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7003 Approved
0.691 Remote Similarity NPD7251 Discontinued
0.691 Remote Similarity NPD6764 Approved
0.691 Remote Similarity NPD7685 Pre-registration
0.691 Remote Similarity NPD6765 Approved
0.6893 Remote Similarity NPD7074 Phase 3
0.6875 Remote Similarity NPD5404 Approved
0.6875 Remote Similarity NPD5406 Approved
0.6875 Remote Similarity NPD5408 Approved
0.6875 Remote Similarity NPD3818 Discontinued
0.6875 Remote Similarity NPD5405 Approved
0.6864 Remote Similarity NPD37 Approved
0.686 Remote Similarity NPD6234 Discontinued
0.6859 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6855 Remote Similarity NPD7097 Phase 1
0.6854 Remote Similarity NPD6797 Phase 2
0.6849 Remote Similarity NPD690 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4966 Approved
0.6842 Remote Similarity NPD4967 Phase 2
0.6842 Remote Similarity NPD4965 Approved
0.6836 Remote Similarity NPD7054 Approved
0.6824 Remote Similarity NPD2801 Approved
0.6824 Remote Similarity NPD8455 Phase 2
0.6824 Remote Similarity NPD7610 Discontinued
0.6813 Remote Similarity NPD2799 Discontinued
0.6813 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6811 Remote Similarity NPD6212 Phase 3
0.6811 Remote Similarity NPD6213 Phase 3
0.6811 Remote Similarity NPD6214 Clinical (unspecified phase)
0.681 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6802 Remote Similarity NPD3749 Approved
0.68 Remote Similarity NPD7163 Clinical (unspecified phase)
0.68 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7472 Approved
0.679 Remote Similarity NPD970 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7390 Discontinued
0.6783 Remote Similarity NPD6831 Clinical (unspecified phase)
0.678 Remote Similarity NPD7228 Approved
0.677 Remote Similarity NPD2796 Approved
0.6766 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6759 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6758 Remote Similarity NPD6785 Approved
0.6758 Remote Similarity NPD6784 Approved
0.6755 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6753 Remote Similarity NPD1470 Approved
0.6752 Remote Similarity NPD2313 Discontinued
0.6738 Remote Similarity NPD164 Approved
0.673 Remote Similarity NPD6355 Discontinued
0.6727 Remote Similarity NPD3300 Phase 2
0.6725 Remote Similarity NPD1465 Phase 2
0.6722 Remote Similarity NPD6559 Discontinued
0.672 Remote Similarity NPD8285 Discontinued
0.6713 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7094 Approved
0.6712 Remote Similarity NPD6858 Approved
0.6711 Remote Similarity NPD6287 Discontinued
0.6708 Remote Similarity NPD1510 Phase 2
0.6707 Remote Similarity NPD3750 Approved
0.6707 Remote Similarity NPD1512 Approved
0.6705 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6702 Remote Similarity NPD6823 Phase 2
0.6702 Remote Similarity NPD8090 Clinical (unspecified phase)
0.669 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6689 Remote Similarity NPD5125 Phase 3
0.6689 Remote Similarity NPD5126 Approved
0.6688 Remote Similarity NPD7095 Approved
0.6687 Remote Similarity NPD1549 Phase 2
0.6686 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD2935 Discontinued
0.6667 Remote Similarity NPD6010 Discontinued
0.6667 Remote Similarity NPD6100 Approved
0.6667 Remote Similarity NPD9545 Approved
0.6646 Remote Similarity NPD6798 Discontinued
0.6645 Remote Similarity NPD8328 Phase 3
0.663 Remote Similarity NPD7240 Approved
0.6626 Remote Similarity NPD7266 Discontinued
0.6626 Remote Similarity NPD1471 Phase 3
0.6626 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6626 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6626 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6621 Remote Similarity NPD2067 Discontinued

Structure

External Identifiers

PubChem CID   10438744
ChEMBL   CHEMBL502992
ZINC  

Physicochemical Properties

Molecular Weight:  612.26
ALogP:  0.3718
MLogP:  3.88
XLogP:  4.673
# Rotatable Bonds:  18
Polar Surface Area:  159.57
# H-Bond Aceptor:  11
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  44

Download Data

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