Natural Product: NPC81698

Natural Product ID:  NPC81698
Common Name:   Orthosiphol V
IUPAC Name:   [(2S,3S,4R,4aS,4bS,5R,7R,8aR,9R,10aS)-2,9-diacetyloxy-7-ethenyl-3,5,8a-trihydroxy-1,1,4a,7-tetramethyl-8-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-4-yl] benzoate
Synonyms:   2-O-Deacetylorthosiphol U
Molecular Formula:   C31H40O10
Standard InCHIKey:  GKULTELGFCWVTD-SRHIYTGZSA-N
Standard InCHI:  InChI=1S/C31H40O10/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(40-17(3)33)22(35)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,19-25,34-35,38H,1,14-15H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,29+,30+,31+/m1/s1
Canonical SMILES:  C=C[C@@]1(C)C[C@@H](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](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]
NPO8541 Oryza sativa Species Poaceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota UNPD*
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota UNPD*
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota UNPD*
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota UNPD*
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota UNPD*
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota UNPD*
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota UNPD*
NPO3549 Euonymus maackii Species Celastraceae Eukaryota UNPD*
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota TCMID*
NPO23183 Pinus halepensis Species Pinaceae Eukaryota UNPD*
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota UNPD*
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota UNPD*
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota UNPD*
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota UNPD*
NPO5877 Morus yunnanensis Species Moraceae Eukaryota UNPD*
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota UNPD*
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota UNPD*
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota UNPD*
NPO29219 Primula veris Species Primulaceae Eukaryota UNPD*
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota UNPD*
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota UNPD*
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota UNPD*
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota UNPD*
NPO23226 Satureja montana Species Lamiaceae Eukaryota UNPD*
NPO22015 Clausena indica Species Rutaceae Eukaryota UNPD*
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota UNPD*
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota UNPD*
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota UNPD*
NPO21745 Phleum africanum Species Poaceae Eukaryota UNPD*
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota UNPD*
NPO23062 Melibe leonina Species Dendronotidae Eukaryota UNPD*
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota UNPD*
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota UNPD*
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota UNPD*
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota UNPD*
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota UNPD*
NPO2499 Celmisia petriei Species Asteraceae Eukaryota UNPD*
NPO21881 Stephania succifera Species Menispermaceae Eukaryota UNPD*
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota UNPD*
NPO21807 Lindera umbellata Species Lauraceae Eukaryota UNPD*
NPO23141 Angelica ursina Species Apiaceae Eukaryota UNPD*
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota UNPD*
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota UNPD*
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota UNPD*
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota UNPD*
NPO5511 Populus tremula Species Salicaceae Eukaryota UNPD*
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota UNPD*
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota UNPD*
NPO14529 Asterias rubens Species Asteriidae Eukaryota UNPD*
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota UNPD*
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota UNPD*
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota UNPD*
NPO10073 Clusia torresii Species Clusiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 54500 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 NPC81698 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 NPC250046
1.0 High Similarity NPC60509
0.9929 High Similarity NPC198455
0.9929 High Similarity NPC161239
0.9929 High Similarity NPC165260
0.9929 High Similarity NPC7095
0.9787 High Similarity NPC112216
0.9784 High Similarity NPC127857
0.972 High Similarity NPC304876
0.972 High Similarity NPC472022
0.972 High Similarity NPC265395
0.972 High Similarity NPC237549
0.972 High Similarity NPC257213
0.972 High Similarity NPC1173
0.972 High Similarity NPC242262
0.972 High Similarity NPC249471
0.972 High Similarity NPC473414
0.972 High Similarity NPC472030
0.972 High Similarity NPC472005
0.972 High Similarity NPC158333
0.972 High Similarity NPC256142
0.9653 High Similarity NPC228204
0.9653 High Similarity NPC112523
0.9653 High Similarity NPC26033
0.9653 High Similarity NPC114410
0.9586 High Similarity NPC106895
0.9583 High Similarity NPC77719
0.958 High Similarity NPC306799
0.958 High Similarity NPC471103
0.958 High Similarity NPC101043
0.9521 High Similarity NPC469771
0.9517 High Similarity NPC282239
0.9452 High Similarity NPC217091
0.9444 High Similarity NPC51602
0.9429 High Similarity NPC182869
0.9388 High Similarity NPC472393
0.9384 High Similarity NPC473670
0.9384 High Similarity NPC472549
0.9384 High Similarity NPC21410
0.9379 High Similarity NPC477905
0.9324 High Similarity NPC471102
0.9315 High Similarity NPC11588
0.9315 High Similarity NPC219419
0.9315 High Similarity NPC229545
0.9315 High Similarity NPC248265
0.9315 High Similarity NPC134685
0.931 High Similarity NPC470153
0.9252 High Similarity NPC114357
0.9252 High Similarity NPC155329
0.9252 High Similarity NPC259144
0.9247 High Similarity NPC472548
0.9241 High Similarity NPC91730
0.9241 High Similarity NPC470245
0.9241 High Similarity NPC254558
0.9241 High Similarity NPC473214
0.9231 High Similarity NPC471100
0.9231 High Similarity NPC471107
0.9225 High Similarity NPC477894
0.9178 High Similarity NPC197037
0.9172 High Similarity NPC473215
0.9172 High Similarity NPC476975
0.9161 High Similarity NPC475759
0.9161 High Similarity NPC470152
0.9161 High Similarity NPC241951
0.9122 High Similarity NPC469730
0.9122 High Similarity NPC473632
0.9122 High Similarity NPC132599
0.9103 High Similarity NPC217918
0.9097 High Similarity NPC476973
0.9097 High Similarity NPC473088
0.9097 High Similarity NPC70403
0.9097 High Similarity NPC472571
0.9097 High Similarity NPC174982
0.9097 High Similarity NPC472572
0.9097 High Similarity NPC184817
0.9097 High Similarity NPC471104
0.9097 High Similarity NPC29704
0.9097 High Similarity NPC177940
0.9097 High Similarity NPC472575
0.9097 High Similarity NPC472568
0.9097 High Similarity NPC158663
0.9097 High Similarity NPC171525
0.9097 High Similarity NPC470159
0.9097 High Similarity NPC470157
0.9097 High Similarity NPC200471
0.9097 High Similarity NPC469349
0.9097 High Similarity NPC472556
0.9097 High Similarity NPC96903
0.9091 High Similarity NPC163087
0.9085 High Similarity NPC27377
0.9085 High Similarity NPC97947
0.9085 High Similarity NPC41481
0.9085 High Similarity NPC472576
0.9085 High Similarity NPC87448
0.9085 High Similarity NPC118080
0.9085 High Similarity NPC291599
0.9028 High Similarity NPC188865
0.9028 High Similarity NPC472569
0.9028 High Similarity NPC125106
0.9028 High Similarity NPC95265
0.9028 High Similarity NPC472573
0.9028 High Similarity NPC70716
0.9028 High Similarity NPC95810
0.9028 High Similarity NPC472570
0.9028 High Similarity NPC57628
0.9028 High Similarity NPC475122
0.9028 High Similarity NPC11685
0.9028 High Similarity NPC163719
0.9028 High Similarity NPC476974
0.9028 High Similarity NPC25768
0.9014 High Similarity NPC472547
0.9014 High Similarity NPC100913
0.9014 High Similarity NPC90614
0.9014 High Similarity NPC275592
0.9014 High Similarity NPC171207
0.9014 High Similarity NPC97667
0.9 High Similarity NPC477893
0.9 High Similarity NPC469417
0.9 High Similarity NPC477896
0.8993 High Similarity NPC473611
0.8966 High Similarity NPC301946
0.8966 High Similarity NPC277053
0.8958 High Similarity NPC91703
0.8951 High Similarity NPC16912
0.8951 High Similarity NPC213567
0.894 High Similarity NPC469399
0.8933 High Similarity NPC11410
0.8912 High Similarity NPC301556
0.8912 High Similarity NPC270590
0.8912 High Similarity NPC92293
0.8912 High Similarity NPC471101
0.8912 High Similarity NPC266265
0.8904 High Similarity NPC477737
0.8904 High Similarity NPC473602
0.8897 High Similarity NPC470231
0.8897 High Similarity NPC471912
0.8897 High Similarity NPC80895
0.8896 High Similarity NPC471493
0.8889 High Similarity NPC472546
0.8889 High Similarity NPC34012
0.8881 High Similarity NPC477904
0.8881 High Similarity NPC183270
0.8873 High Similarity NPC39549
0.8867 High Similarity NPC251139
0.8846 High Similarity NPC102465
0.8844 High Similarity NPC281717
0.8831 High Similarity NPC329960
0.8831 High Similarity NPC150893
0.8831 High Similarity NPC66193
0.8831 High Similarity NPC295408
0.8824 High Similarity NPC476077
0.8819 High Similarity NPC224491
0.8803 High Similarity NPC472545
0.8803 High Similarity NPC472551
0.88 High Similarity NPC133430
0.88 High Similarity NPC469477
0.8776 High Similarity NPC475552
0.8776 High Similarity NPC474935
0.8774 High Similarity NPC471134
0.8767 High Similarity NPC38696
0.875 High Similarity NPC473109
0.875 High Similarity NPC200592
0.875 High Similarity NPC473758
0.875 High Similarity NPC147880
0.875 High Similarity NPC211137
0.875 High Similarity NPC473085
0.875 High Similarity NPC473112
0.875 High Similarity NPC473613
0.875 High Similarity NPC476094
0.875 High Similarity NPC184747
0.875 High Similarity NPC43241
0.875 High Similarity NPC48017
0.875 High Similarity NPC473081
0.875 High Similarity NPC4341
0.875 High Similarity NPC473060
0.8741 High Similarity NPC183122
0.8741 High Similarity NPC283375
0.8733 High Similarity NPC283875
0.8733 High Similarity NPC469647
0.8733 High Similarity NPC469648
0.8733 High Similarity NPC22571
0.8733 High Similarity NPC138641
0.8732 High Similarity NPC291638
0.8732 High Similarity NPC472577
0.8732 High Similarity NPC195647
0.8732 High Similarity NPC17877
0.8732 High Similarity NPC66761
0.8718 High Similarity NPC61891
0.8716 High Similarity NPC132652
0.8699 High Similarity NPC477468
0.8699 High Similarity NPC95449
0.8681 High Similarity NPC210591
0.8681 High Similarity NPC475652
0.8681 High Similarity NPC214550
0.8671 High Similarity NPC477473
0.8671 High Similarity NPC477471
0.8671 High Similarity NPC477469
0.8671 High Similarity NPC477466
0.8662 High Similarity NPC48929
0.8662 High Similarity NPC329913

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC81698 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
0.8456 Intermediate Similarity NPD7236 Approved
0.8301 Intermediate Similarity NPD7239 Suspended
0.8293 Intermediate Similarity NPD8368 Discontinued
0.8272 Intermediate Similarity NPD7799 Discontinued
0.8166 Intermediate Similarity NPD8435 Approved
0.8166 Intermediate Similarity NPD8360 Approved
0.8166 Intermediate Similarity NPD8361 Approved
0.8144 Intermediate Similarity NPD8407 Phase 2
0.8047 Intermediate Similarity NPD8434 Phase 2
0.7989 Intermediate Similarity NPD8485 Approved
0.7941 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD8150 Discontinued
0.7826 Intermediate Similarity NPD7057 Phase 3
0.7826 Intermediate Similarity NPD7058 Phase 2
0.7759 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6190 Approved
0.7561 Intermediate Similarity NPD7075 Discontinued
0.7533 Intermediate Similarity NPD7961 Discontinued
0.7517 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6599 Discontinued
0.75 Intermediate Similarity NPD2629 Approved
0.75 Intermediate Similarity NPD4628 Phase 3
0.7456 Intermediate Similarity NPD7473 Discontinued
0.7447 Intermediate Similarity NPD4198 Discontinued
0.7423 Intermediate Similarity NPD6801 Discontinued
0.7407 Intermediate Similarity NPD4380 Phase 2
0.74 Intermediate Similarity NPD7008 Discontinued
0.7391 Intermediate Similarity NPD8319 Approved
0.7391 Intermediate Similarity NPD8320 Phase 1
0.7389 Intermediate Similarity NPD8166 Discontinued
0.7378 Intermediate Similarity NPD7819 Suspended
0.7374 Intermediate Similarity NPD6534 Approved
0.7374 Intermediate Similarity NPD6535 Approved
0.7356 Intermediate Similarity NPD8312 Approved
0.7356 Intermediate Similarity NPD8313 Approved
0.7348 Intermediate Similarity NPD7700 Phase 2
0.7348 Intermediate Similarity NPD7699 Phase 2
0.7346 Intermediate Similarity NPD7458 Discontinued
0.7337 Intermediate Similarity NPD7435 Discontinued
0.7333 Intermediate Similarity NPD3817 Phase 2
0.7333 Intermediate Similarity NPD5402 Approved
0.7321 Intermediate Similarity NPD8127 Discontinued
0.7294 Intermediate Similarity NPD6166 Phase 2
0.7294 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6232 Discontinued
0.7267 Intermediate Similarity NPD5844 Phase 1
0.725 Intermediate Similarity NPD6799 Approved
0.7247 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5403 Approved
0.7205 Intermediate Similarity NPD5401 Approved
0.7176 Intermediate Similarity NPD3787 Discontinued
0.7174 Intermediate Similarity NPD6782 Approved
0.7174 Intermediate Similarity NPD6777 Approved
0.7174 Intermediate Similarity NPD6778 Approved
0.7174 Intermediate Similarity NPD6781 Approved
0.7174 Intermediate Similarity NPD6780 Approved
0.7174 Intermediate Similarity NPD6779 Approved
0.7174 Intermediate Similarity NPD6776 Approved
0.7169 Intermediate Similarity NPD5761 Phase 2
0.7169 Intermediate Similarity NPD5760 Phase 2
0.7168 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6273 Approved
0.7152 Intermediate Similarity NPD7411 Suspended
0.7143 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3226 Approved
0.7126 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD8462 Phase 1
0.711 Intermediate Similarity NPD3751 Discontinued
0.7105 Intermediate Similarity NPD7874 Approved
0.7105 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7696 Phase 3
0.7059 Intermediate Similarity NPD7697 Approved
0.7059 Intermediate Similarity NPD5494 Approved
0.7059 Intermediate Similarity NPD7698 Approved
0.7055 Intermediate Similarity NPD7741 Discontinued
0.7045 Intermediate Similarity NPD6764 Approved
0.7045 Intermediate Similarity NPD7251 Discontinued
0.7045 Intermediate Similarity NPD6765 Approved
0.7029 Intermediate Similarity NPD7074 Phase 3
0.7021 Intermediate Similarity NPD7871 Phase 2
0.7021 Intermediate Similarity NPD7870 Phase 2
0.7018 Intermediate Similarity NPD6959 Discontinued
0.7014 Intermediate Similarity NPD5951 Approved
0.7013 Intermediate Similarity NPD3764 Approved
0.7011 Intermediate Similarity NPD3818 Discontinued
0.7006 Intermediate Similarity NPD1934 Approved
0.7006 Intermediate Similarity NPD7808 Phase 3
0.7006 Intermediate Similarity NPD37 Approved
0.7 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7701 Phase 2
0.6994 Remote Similarity NPD2533 Approved
0.6994 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6994 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2532 Approved
0.6994 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6994 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2534 Approved
0.6989 Remote Similarity NPD6797 Phase 2
0.6987 Remote Similarity NPD230 Phase 1
0.6982 Remote Similarity NPD4967 Phase 2
0.6982 Remote Similarity NPD4966 Approved
0.6982 Remote Similarity NPD3882 Suspended
0.6982 Remote Similarity NPD7768 Phase 2
0.6982 Remote Similarity NPD4965 Approved
0.6981 Remote Similarity NPD2346 Discontinued
0.6981 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6979 Remote Similarity NPD7801 Approved
0.6974 Remote Similarity NPD8404 Phase 2
0.6972 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6971 Remote Similarity NPD7054 Approved
0.6968 Remote Similarity NPD7497 Discontinued
0.6957 Remote Similarity NPD7003 Approved
0.695 Remote Similarity NPD2182 Approved
0.6949 Remote Similarity NPD7685 Pre-registration
0.6932 Remote Similarity NPD7472 Approved
0.6918 Remote Similarity NPD5406 Approved
0.6918 Remote Similarity NPD5408 Approved
0.6918 Remote Similarity NPD5404 Approved
0.6918 Remote Similarity NPD5405 Approved
0.6914 Remote Similarity NPD7228 Approved
0.6901 Remote Similarity NPD6234 Discontinued
0.6897 Remote Similarity NPD690 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6785 Approved
0.6889 Remote Similarity NPD6784 Approved
0.6879 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8151 Discontinued
0.6871 Remote Similarity NPD7610 Discontinued
0.6864 Remote Similarity NPD2801 Approved
0.6864 Remote Similarity NPD8455 Phase 2
0.6855 Remote Similarity NPD2799 Discontinued
0.6854 Remote Similarity NPD6559 Discontinued
0.6853 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6212 Phase 3
0.6848 Remote Similarity NPD6213 Phase 3
0.6848 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5125 Phase 3
0.6846 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5126 Approved
0.6842 Remote Similarity NPD3749 Approved
0.6832 Remote Similarity NPD970 Clinical (unspecified phase)
0.6831 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7390 Discontinued
0.6828 Remote Similarity NPD6010 Discontinued
0.6826 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6825 Remote Similarity NPD6823 Phase 2
0.6813 Remote Similarity NPD2796 Approved
0.681 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6807 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6806 Remote Similarity NPD1609 Clinical (unspecified phase)
0.68 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6795 Remote Similarity NPD2313 Discontinued
0.6792 Remote Similarity NPD7097 Phase 1
0.6772 Remote Similarity NPD6355 Discontinued
0.677 Remote Similarity NPD7266 Discontinued
0.6768 Remote Similarity NPD3300 Phase 2
0.6765 Remote Similarity NPD1465 Phase 2
0.676 Remote Similarity NPD7240 Approved
0.6759 Remote Similarity NPD7094 Approved
0.6759 Remote Similarity NPD6858 Approved
0.6755 Remote Similarity NPD6287 Discontinued
0.675 Remote Similarity NPD1509 Clinical (unspecified phase)
0.675 Remote Similarity NPD8155 Clinical (unspecified phase)
0.675 Remote Similarity NPD7305 Phase 1
0.675 Remote Similarity NPD1510 Phase 2
0.6748 Remote Similarity NPD3750 Approved
0.6747 Remote Similarity NPD1512 Approved
0.6743 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6738 Remote Similarity NPD5048 Discontinued
0.6738 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7095 Approved
0.6728 Remote Similarity NPD1549 Phase 2
0.6726 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7199 Phase 2
0.6711 Remote Similarity NPD9545 Approved
0.6708 Remote Similarity NPD6100 Approved
0.6708 Remote Similarity NPD6099 Approved
0.6708 Remote Similarity NPD2935 Discontinued
0.6689 Remote Similarity NPD8328 Phase 3
0.6688 Remote Similarity NPD1470 Approved
0.6688 Remote Similarity NPD6798 Discontinued
0.6667 Remote Similarity NPD5763 Approved
0.6667 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2067 Discontinued

Structure

External Identifiers

PubChem CID   10951947
ChEMBL   CHEMBL450248
ZINC  

Physicochemical Properties

Molecular Weight:  572.26
ALogP:  -0.1162
MLogP:  3.77
XLogP:  4.346
# Rotatable Bonds:  17
Polar Surface Area:  156.66
# H-Bond Aceptor:  10
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  41

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