Natural Product: NPC198455

Natural Product ID:  NPC198455
Common Name:   Orthosiphol M
IUPAC Name:   [(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-3,9-diacetyloxy-7-ethenyl-2,8a-dihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate
Synonyms:   Orthosiphol M
Molecular Formula:   C31H38O10
Standard InCHIKey:  GTEFXIUCQAABAV-FYEHOKTBSA-N
Standard InCHI:  InChI=1S/C31H38O10/c1-8-29(6)15-19(34)23-30(7)20(14-21(39-16(2)32)31(23,38)27(29)37)28(4,5)24(35)22(40-17(3)33)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,20-25,35,38H,1,14-15H2,2-7H3/t20-,21+,22-,23+,24+,25-,29-,30-,31-/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)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
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota UNPD*
NPO5877 Morus yunnanensis Species Moraceae Eukaryota UNPD*
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota UNPD*
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota UNPD*
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota UNPD*
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota UNPD*
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota TCMID*
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota TCMID*
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota UNPD*
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota UNPD*
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota UNPD*
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota UNPD*
NPO23062 Melibe leonina Species Dendronotidae Eukaryota UNPD*
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota UNPD*
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota UNPD*
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota UNPD*
NPO14529 Asterias rubens Species Asteriidae Eukaryota UNPD*
NPO22015 Clausena indica Species Rutaceae Eukaryota UNPD*
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota UNPD*
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota UNPD*
NPO23226 Satureja montana Species Lamiaceae Eukaryota UNPD*
NPO10073 Clusia torresii Species Clusiaceae Eukaryota UNPD*
NPO3549 Euonymus maackii Species Celastraceae Eukaryota UNPD*
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota UNPD*
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota UNPD*
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota UNPD*
NPO21807 Lindera umbellata Species Lauraceae Eukaryota UNPD*
NPO21745 Phleum africanum Species Poaceae Eukaryota UNPD*
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota UNPD*
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota UNPD*
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota UNPD*
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota UNPD*
NPO23141 Angelica ursina Species Apiaceae Eukaryota UNPD*
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota UNPD*
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota UNPD*
NPO2499 Celmisia petriei Species Asteraceae Eukaryota UNPD*
NPO29219 Primula veris Species Primulaceae Eukaryota UNPD*
NPO21881 Stephania succifera Species Menispermaceae Eukaryota UNPD*
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota UNPD*
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota UNPD*
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota UNPD*
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota UNPD*
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota UNPD*
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota UNPD*
NPO8541 Oryza sativa Species Poaceae Eukaryota UNPD*
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota UNPD*
NPO23183 Pinus halepensis Species Pinaceae Eukaryota UNPD*
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota UNPD*
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota UNPD*
NPO5511 Populus tremula Species Salicaceae Eukaryota UNPD*
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota UNPD*
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota UNPD*
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 31.3 ug/ml 11374950
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 81.7 ug/ml 11374950

  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 NPC198455 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 NPC165260
1.0 High Similarity NPC161239
0.9929 High Similarity NPC60509
0.9929 High Similarity NPC81698
0.9929 High Similarity NPC250046
0.9858 High Similarity NPC7095
0.9858 High Similarity NPC112216
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 NPC257213
0.9653 High Similarity NPC472005
0.9653 High Similarity NPC237549
0.9653 High Similarity NPC158333
0.9653 High Similarity NPC472030
0.9653 High Similarity NPC249471
0.9653 High Similarity NPC1173
0.9653 High Similarity NPC256142
0.9653 High Similarity NPC472022
0.9653 High Similarity NPC77719
0.9653 High Similarity NPC265395
0.9653 High Similarity NPC242262
0.9586 High Similarity NPC228204
0.9586 High Similarity NPC26033
0.9521 High Similarity NPC106895
0.9514 High Similarity NPC471103
0.9514 High Similarity NPC306799
0.9514 High Similarity NPC101043
0.9456 High Similarity NPC469771
0.9452 High Similarity NPC282239
0.9388 High Similarity NPC217091
0.9379 High Similarity NPC51602
0.9362 High Similarity NPC182869
0.9324 High Similarity NPC472393
0.932 High Similarity NPC472549
0.932 High Similarity NPC21410
0.932 High Similarity NPC473670
0.9315 High Similarity NPC477905
0.9262 High Similarity NPC471102
0.9252 High Similarity NPC134685
0.9252 High Similarity NPC219419
0.9252 High Similarity NPC11588
0.9252 High Similarity NPC229545
0.9252 High Similarity NPC248265
0.9247 High Similarity NPC470153
0.9189 High Similarity NPC155329
0.9189 High Similarity NPC114357
0.9189 High Similarity NPC259144
0.9184 High Similarity NPC472548
0.9178 High Similarity NPC470245
0.9178 High Similarity NPC254558
0.9178 High Similarity NPC91730
0.9178 High Similarity NPC473214
0.9167 High Similarity NPC471100
0.9167 High Similarity NPC471107
0.9161 High Similarity NPC477894
0.9116 High Similarity NPC197037
0.911 High Similarity NPC473215
0.911 High Similarity NPC476975
0.9097 High Similarity NPC241951
0.9097 High Similarity NPC475759
0.9097 High Similarity NPC470152
0.906 High Similarity NPC469730
0.906 High Similarity NPC473632
0.906 High Similarity NPC132599
0.9041 High Similarity NPC217918
0.9034 High Similarity NPC472556
0.9034 High Similarity NPC472572
0.9034 High Similarity NPC472575
0.9034 High Similarity NPC29704
0.9034 High Similarity NPC476973
0.9034 High Similarity NPC473088
0.9034 High Similarity NPC174982
0.9034 High Similarity NPC177940
0.9034 High Similarity NPC472568
0.9034 High Similarity NPC471104
0.9034 High Similarity NPC470157
0.9034 High Similarity NPC184817
0.9034 High Similarity NPC470159
0.9034 High Similarity NPC70403
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 NPC163087
0.9021 High Similarity NPC97947
0.9021 High Similarity NPC41481
0.9021 High Similarity NPC472576
0.9021 High Similarity NPC291599
0.9021 High Similarity NPC87448
0.9021 High Similarity NPC118080
0.9021 High Similarity NPC27377
0.8966 High Similarity NPC11685
0.8966 High Similarity NPC95810
0.8966 High Similarity NPC472573
0.8966 High Similarity NPC70716
0.8966 High Similarity NPC472569
0.8966 High Similarity NPC163719
0.8966 High Similarity NPC25768
0.8966 High Similarity NPC188865
0.8966 High Similarity NPC57628
0.8966 High Similarity NPC476974
0.8966 High Similarity NPC472570
0.8966 High Similarity NPC125106
0.8966 High Similarity NPC475122
0.8966 High Similarity NPC95265
0.8951 High Similarity NPC275592
0.8951 High Similarity NPC472547
0.8951 High Similarity NPC97667
0.8951 High Similarity NPC100913
0.8951 High Similarity NPC90614
0.8951 High Similarity NPC171207
0.894 High Similarity NPC469417
0.8936 High Similarity NPC477896
0.8936 High Similarity NPC477893
0.8933 High Similarity NPC473611
0.8904 High Similarity NPC301946
0.8904 High Similarity NPC277053
0.8897 High Similarity NPC91703
0.8889 High Similarity NPC16912
0.8889 High Similarity NPC213567
0.8882 High Similarity NPC469399
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 NPC473602
0.8844 High Similarity NPC477737
0.8839 High Similarity NPC471493
0.8836 High Similarity NPC470231
0.8836 High Similarity NPC471912
0.8836 High Similarity NPC80895
0.8828 High Similarity NPC34012
0.8828 High Similarity NPC472546
0.8819 High Similarity NPC183270
0.8819 High Similarity NPC477904
0.8811 High Similarity NPC39549
0.8808 High Similarity NPC251139
0.879 High Similarity NPC102465
0.8784 High Similarity NPC281717
0.8774 High Similarity NPC150893
0.8774 High Similarity NPC295408
0.8774 High Similarity NPC329960
0.8774 High Similarity NPC66193
0.8766 High Similarity NPC476077
0.8759 High Similarity NPC224491
0.8742 High Similarity NPC469477
0.8742 High Similarity NPC133430
0.8741 High Similarity NPC472551
0.8741 High Similarity NPC472545
0.8718 High Similarity NPC471134
0.8716 High Similarity NPC475552
0.8716 High Similarity NPC474935
0.8707 High Similarity NPC38696
0.869 High Similarity NPC211137
0.869 High Similarity NPC473060
0.869 High Similarity NPC43241
0.869 High Similarity NPC473081
0.869 High Similarity NPC48017
0.869 High Similarity NPC473613
0.869 High Similarity NPC4341
0.869 High Similarity NPC473085
0.869 High Similarity NPC473109
0.869 High Similarity NPC200592
0.869 High Similarity NPC473758
0.869 High Similarity NPC147880
0.869 High Similarity NPC473112
0.869 High Similarity NPC476094
0.869 High Similarity NPC184747
0.8681 High Similarity NPC283375
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
0.8658 High Similarity NPC132652
0.8639 High Similarity NPC95449
0.8639 High Similarity NPC477468
0.8621 High Similarity NPC210591
0.8621 High Similarity NPC214550
0.8621 High Similarity NPC475652
0.8616 High Similarity NPC477473
0.8616 High Similarity NPC477469
0.8616 High Similarity NPC477466
0.8616 High Similarity NPC477471
0.8601 High Similarity NPC48929
0.8601 High Similarity NPC474608

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC198455 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
0.84 Intermediate Similarity NPD7236 Approved
0.8247 Intermediate Similarity NPD7239 Suspended
0.8242 Intermediate Similarity NPD8368 Discontinued
0.8221 Intermediate Similarity NPD7799 Discontinued
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)
0.7778 Intermediate Similarity NPD7057 Phase 3
0.7778 Intermediate Similarity NPD7058 Phase 2
0.76 Intermediate Similarity NPD7961 Discontinued
0.7546 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6190 Approved
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 NPD4628 Phase 3
0.7447 Intermediate Similarity NPD2629 Approved
0.7446 Intermediate Similarity NPD8320 Phase 1
0.7446 Intermediate Similarity NPD8319 Approved
0.743 Intermediate Similarity NPD6534 Approved
0.743 Intermediate Similarity NPD6535 Approved
0.7403 Intermediate Similarity NPD7699 Phase 2
0.7403 Intermediate Similarity NPD7700 Phase 2
0.7394 Intermediate Similarity NPD4198 Discontinued
0.7391 Intermediate Similarity NPD7435 Discontinued
0.7378 Intermediate Similarity NPD6801 Discontinued
0.7362 Intermediate Similarity NPD4380 Phase 2
0.7351 Intermediate Similarity NPD7008 Discontinued
0.7342 Intermediate Similarity NPD8166 Discontinued
0.7337 Intermediate Similarity NPD6232 Discontinued
0.7333 Intermediate Similarity NPD7819 Suspended
0.7314 Intermediate Similarity NPD8313 Approved
0.7314 Intermediate Similarity NPD8312 Approved
0.7301 Intermediate Similarity NPD7458 Discontinued
0.7289 Intermediate Similarity NPD3817 Phase 2
0.7289 Intermediate Similarity NPD5402 Approved
0.7278 Intermediate Similarity NPD8127 Discontinued
0.7251 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD6166 Phase 2
0.7246 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD6781 Approved
0.7228 Intermediate Similarity NPD6776 Approved
0.7228 Intermediate Similarity NPD6779 Approved
0.7228 Intermediate Similarity NPD6778 Approved
0.7228 Intermediate Similarity NPD6782 Approved
0.7228 Intermediate Similarity NPD6780 Approved
0.7228 Intermediate Similarity NPD6777 Approved
0.7225 Intermediate Similarity NPD5844 Phase 1
0.7207 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD6799 Approved
0.7195 Intermediate Similarity NPD3226 Approved
0.7178 Intermediate Similarity NPD5403 Approved
0.7168 Intermediate Similarity NPD3751 Discontinued
0.716 Intermediate Similarity NPD5401 Approved
0.716 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7874 Approved
0.7135 Intermediate Similarity NPD3787 Discontinued
0.7126 Intermediate Similarity NPD5760 Phase 2
0.7126 Intermediate Similarity NPD5761 Phase 2
0.7126 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6273 Approved
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
0.7101 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8462 Phase 1
0.7074 Intermediate Similarity NPD7870 Phase 2
0.7074 Intermediate Similarity NPD7871 Phase 2
0.7062 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7701 Phase 2
0.7039 Intermediate Similarity NPD6007 Clinical (unspecified phase)
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 NPD2393 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD2182 Approved
0.7018 Intermediate Similarity NPD5494 Approved
0.7007 Intermediate Similarity NPD7741 Discontinued
0.7006 Intermediate Similarity NPD6765 Approved
0.7006 Intermediate Similarity NPD6764 Approved
0.7006 Intermediate Similarity NPD7251 Discontinued
0.6989 Remote Similarity NPD7074 Phase 3
0.6977 Remote Similarity NPD6959 Discontinued
0.6971 Remote Similarity NPD3818 Discontinued
0.6968 Remote Similarity NPD3764 Approved
0.6966 Remote Similarity NPD5951 Approved
0.6966 Remote Similarity NPD7808 Phase 3
0.6964 Remote Similarity NPD1934 Approved
0.6964 Remote Similarity NPD37 Approved
0.6957 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6951 Remote Similarity NPD2533 Approved
0.6951 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6951 Remote Similarity NPD7004 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
0.6949 Remote Similarity NPD6797 Phase 2
0.6943 Remote Similarity NPD230 Phase 1
0.6941 Remote Similarity NPD4965 Approved
0.6941 Remote Similarity NPD7768 Phase 2
0.6941 Remote Similarity NPD4967 Phase 2
0.6941 Remote Similarity NPD4966 Approved
0.6941 Remote Similarity NPD3882 Suspended
0.6937 Remote Similarity NPD2346 Discontinued
0.6937 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6932 Remote Similarity NPD7054 Approved
0.6931 Remote Similarity NPD7497 Discontinued
0.6927 Remote Similarity NPD8151 Discontinued
0.6923 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7003 Approved
0.691 Remote Similarity NPD7685 Pre-registration
0.6902 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6902 Remote Similarity NPD6213 Phase 3
0.6902 Remote Similarity NPD6212 Phase 3
0.6893 Remote Similarity NPD7472 Approved
0.6875 Remote Similarity NPD5404 Approved
0.6875 Remote Similarity NPD5406 Approved
0.6875 Remote Similarity NPD5408 Approved
0.6875 Remote Similarity NPD5405 Approved
0.6875 Remote Similarity NPD7228 Approved
0.686 Remote Similarity NPD6234 Discontinued
0.6859 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6855 Remote Similarity NPD7097 Phase 1
0.6851 Remote Similarity NPD6785 Approved
0.6851 Remote Similarity NPD6784 Approved
0.6849 Remote Similarity NPD690 Clinical (unspecified phase)
0.6831 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7610 Discontinued
0.6824 Remote Similarity NPD2801 Approved
0.6824 Remote Similarity NPD8455 Phase 2
0.6816 Remote Similarity NPD6559 Discontinued
0.6813 Remote Similarity NPD2799 Discontinued
0.6813 Remote Similarity NPD1509 Clinical (unspecified phase)
0.681 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6806 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6802 Remote Similarity NPD3749 Approved
0.68 Remote Similarity NPD5125 Phase 3
0.68 Remote Similarity NPD7163 Clinical (unspecified phase)
0.68 Remote Similarity NPD5126 Approved
0.68 Remote Similarity NPD8155 Clinical (unspecified phase)
0.679 Remote Similarity NPD970 Clinical (unspecified phase)
0.6789 Remote Similarity NPD6823 Phase 2
0.6788 Remote Similarity NPD7390 Discontinued
0.6786 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6781 Remote Similarity NPD6010 Discontinued
0.677 Remote Similarity NPD2796 Approved
0.6768 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6759 Remote Similarity NPD1609 Clinical (unspecified phase)
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
0.6728 Remote Similarity NPD7266 Discontinued
0.6727 Remote Similarity NPD3300 Phase 2
0.6725 Remote Similarity NPD1465 Phase 2
0.6722 Remote Similarity NPD7240 Approved
0.6712 Remote Similarity NPD7094 Approved
0.6712 Remote Similarity NPD6858 Approved
0.6711 Remote Similarity NPD6287 Discontinued
0.6708 Remote Similarity NPD7305 Phase 1
0.6708 Remote Similarity NPD1510 Phase 2
0.6707 Remote Similarity NPD3750 Approved
0.6707 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6707 Remote Similarity NPD1512 Approved
0.6705 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6702 Remote Similarity NPD8090 Clinical (unspecified phase)
0.669 Remote Similarity NPD5048 Discontinued
0.6688 Remote Similarity NPD7095 Approved
0.6687 Remote Similarity NPD1549 Phase 2
0.6686 Remote Similarity NPD7199 Phase 2
0.6686 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD2935 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
0.6632 Remote Similarity NPD8285 Discontinued

Structure

External Identifiers

PubChem CID   10030927
ChEMBL   CHEMBL450421
ZINC  

Physicochemical Properties

Molecular Weight:  570.25
ALogP:  -0.0073
MLogP:  3.77
XLogP:  3.933
# Rotatable Bonds:  16
Polar Surface Area:  153.5
# H-Bond Aceptor:  10
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  41

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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