Natural Product: NPC164599

Natural Product ID:  NPC164599
Common Name:   Phaseoloidin
IUPAC Name:   2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
Synonyms:  
Molecular Formula:   C14H18O9
Standard InCHIKey:  MVFYXXNAFZRZAM-RGCYKPLRSA-N
Standard InCHI:  InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc(cc2CC(=O)O)O)[C@@H]([C@H]([C@@H]1O)O)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
NPO18672 Senecio adenophyllus Species Asteraceae Eukaryota UNPD*
NPO8080 Sarcophyton elegans Species Alcyoniidae Eukaryota UNPD*
NPO19571 Oreopteris quelpaertensis Species Thelypteridaceae Eukaryota UNPD*
NPO12860 Clione antarctica Species Clionidae Eukaryota UNPD*
NPO19422 Crinum zeylanicum Species Amaryllidaceae Eukaryota UNPD*
NPO18752 Osmundastrum cinnamomeum Species Osmundaceae Eukaryota UNPD*
NPO17881 Notholaena candida Species Pteridaceae Eukaryota UNPD*
NPO21660 Magnolia montana Species Magnoliaceae Eukaryota UNPD*
NPO18041 Cladrastis platycarpa Species Fabaceae Eukaryota UNPD*
NPO14612 Cassia garrettiana Species Fabaceae Eukaryota UNPD*
NPO15119 Aphis graminum Species Aphididae Eukaryota UNPD*
NPO18599 Pangium edule Species Achariaceae Eukaryota UNPD*
NPO17222 Hesperis matronalis Species Brassicaceae Eukaryota UNPD*
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota UNPD*
NPO16909 Viguiera quinqueremis Species Asteraceae Eukaryota UNPD*
NPO18422 Stizolobium deeringianum NA NA NA UNPD*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota UNPD*
NPO2354 Rhizobium leguminosarum Species Rhizobiaceae Bacteria UNPD*
NPO11059 Callicarpa japonica Species Lamiaceae Eukaryota UNPD*
NPO19832 Gambierdiscus toxicus Species Goniodomataceae Eukaryota UNPD*
NPO18925 Artemisia rehan Species Asteraceae Eukaryota UNPD*
NPO11083 Avrainvillea longicaulis Species Udoteaceae Eukaryota UNPD*
NPO18260 Eremanthus seidelii Species Asteraceae Eukaryota UNPD*
NPO17350 Jatropha macrorhiza Species Euphorbiaceae Eukaryota UNPD*
NPO19370 Coprosma areolata Species Rubiaceae Eukaryota UNPD*
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota UNPD*
NPO19631 Aphis pini Species Aphididae Eukaryota UNPD*
NPO16132 Bryum argenteum Species Bryaceae Eukaryota UNPD*
NPO14214 Sedum obtuso-lineare Species Crassulaceae Eukaryota UNPD*
NPO14249 Diplodia natalensis Species Botryosphaeriaceae Eukaryota UNPD*
NPO13727 Hemionitis japonica Species Pteridaceae Eukaryota UNPD*
NPO9888 Lobophytum laevigatum Species Alcyoniidae Eukaryota UNPD*
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota TM-MC*
NPO15437 Aspergillus desertorum Species Aspergillaceae Eukaryota UNPD*
NPO18345 Phora velutina Species Phoridae Eukaryota UNPD*
NPO19306 Cortinarius orellanus Species Cortinariaceae Eukaryota UNPD*
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota TCMID*
NPO18905 Prunus turfosa Species Rosaceae Eukaryota UNPD*
NPO26532 Gmelina asiatica Species Lamiaceae Eukaryota UNPD*
NPO19619 Griffonia simplicifolia Species Fabaceae Eukaryota UNPD*
NPO17894 Rhus vulgaris Species Anacardiaceae Eukaryota UNPD*
NPO27951 Vigna mungo Species Fabaceae Eukaryota UNPD*
NPO16316 Cylindrospermum muscicola Species Nostocaceae Bacteria UNPD*
NPO15786 Umbilicaria esculenta Species Umbilicariaceae Eukaryota UNPD*
NPO18839 Lilium umbellatum Species Liliaceae Eukaryota UNPD*
NPO1669 Sedum caucasicum Species Crassulaceae Eukaryota UNPD*
NPO19240 Ligularia cymbulifera Species Asteraceae Eukaryota UNPD*
NPO13672 Verbesina sublobata Species Asteraceae Eukaryota UNPD*
NPO19168 Solidago flexicaulis Species Asteraceae Eukaryota UNPD*
NPO19086 Nematolepis phebalioides Species Rutaceae Eukaryota UNPD*
NPO22636 Sterculia foetida Species Malvaceae Eukaryota UNPD*
NPO17749 Jackiella javanica Species Jackiellaceae Eukaryota UNPD*
NPO18411 Cinnamomum mindanaense Species Lauraceae Eukaryota UNPD*
NPO19706 Polyzonium rosalbum Species Polyzoniidae Eukaryota UNPD*
NPO13344 Helichrysum cephaloideum Species Asteraceae Eukaryota UNPD*
NPO16776 Euphorbia amygdaloides Species Euphorbiaceae Eukaryota UNPD*
NPO17569 Ardisia crispa Species Primulaceae Eukaryota UNPD*
NPO4499 Aglaia formosana Species Meliaceae Eukaryota UNPD*
NPO17490 Trichophyton mentagrophytes Species Arthrodermataceae Eukaryota UNPD*
NPO19766 Viguiera linearis Species Asteraceae Eukaryota UNPD*
NPO19010 Elephantopus hirtiflorus Species Asteraceae Eukaryota UNPD*
NPO18163 Aulosira fertilissima Species Fortieaceae Bacteria UNPD*
NPO15481 Hypericum balearicum Species Hypericaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1690.33 ug 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 450.17 ug 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 43.92 ug 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 490.33 ug 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 88.5 % 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 70.08 % 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 52.15 % 10.1007/s00044-011-9860-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 27.08 % 10.1007/s00044-011-9860-5

  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 NPC164599 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
0.9328 High Similarity NPC269421
0.9191 High Similarity NPC34456
0.9161 High Similarity NPC83975
0.9028 High Similarity NPC92054
0.9028 High Similarity NPC4958
0.9028 High Similarity NPC140722
0.8986 High Similarity NPC476018
0.8986 High Similarity NPC475029
0.8889 High Similarity NPC40377
0.8851 High Similarity NPC34965
0.8851 High Similarity NPC215811
0.8851 High Similarity NPC183536
0.8844 High Similarity NPC93619
0.8828 High Similarity NPC474422
0.8824 High Similarity NPC97326
0.8806 High Similarity NPC123704
0.8741 High Similarity NPC65833
0.8714 High Similarity NPC475011
0.8681 High Similarity NPC242756
0.8667 High Similarity NPC299435
0.8667 High Similarity NPC230439
0.8667 High Similarity NPC279281
0.8667 High Similarity NPC299761
0.8667 High Similarity NPC92153
0.8667 High Similarity NPC260604
0.8649 High Similarity NPC205054
0.8613 High Similarity NPC146540
0.8611 High Similarity NPC31081
0.8611 High Similarity NPC145319
0.8611 High Similarity NPC245219
0.8609 High Similarity NPC10205
0.8562 High Similarity NPC57072
0.8562 High Similarity NPC231475
0.8562 High Similarity NPC74319
0.8562 High Similarity NPC287872
0.8553 High Similarity NPC471405
0.8543 High Similarity NPC470331
0.8543 High Similarity NPC327032
0.8543 High Similarity NPC185103
0.8543 High Similarity NPC191046
0.8543 High Similarity NPC194095
0.8542 High Similarity NPC80098
0.8533 High Similarity NPC36130
0.8533 High Similarity NPC134905
0.8531 High Similarity NPC474943
0.8531 High Similarity NPC475028
0.8531 High Similarity NPC475005
0.8531 High Similarity NPC476025
0.8523 High Similarity NPC182350
0.8523 High Similarity NPC100818
0.8506 High Similarity NPC328093
0.8503 High Similarity NPC291153
0.8497 Intermediate Similarity NPC474401
0.8497 Intermediate Similarity NPC177742
0.8497 Intermediate Similarity NPC476026
0.8497 Intermediate Similarity NPC474441
0.8497 Intermediate Similarity NPC474398
0.8477 Intermediate Similarity NPC310661
0.8477 Intermediate Similarity NPC105827
0.8477 Intermediate Similarity NPC137813
0.8477 Intermediate Similarity NPC157898
0.8472 Intermediate Similarity NPC475045
0.8467 Intermediate Similarity NPC233559
0.8452 Intermediate Similarity NPC217950
0.8452 Intermediate Similarity NPC472859
0.8452 Intermediate Similarity NPC132737
0.8452 Intermediate Similarity NPC311803
0.8452 Intermediate Similarity NPC25389
0.8446 Intermediate Similarity NPC469700
0.8435 Intermediate Similarity NPC138915
0.8429 Intermediate Similarity NPC166168
0.8414 Intermediate Similarity NPC475063
0.8414 Intermediate Similarity NPC475044
0.84 Intermediate Similarity NPC88886
0.84 Intermediate Similarity NPC471214
0.84 Intermediate Similarity NPC104172
0.8397 Intermediate Similarity NPC90905
0.8397 Intermediate Similarity NPC4013
0.8392 Intermediate Similarity NPC475628
0.8392 Intermediate Similarity NPC294470
0.8389 Intermediate Similarity NPC23084
0.8389 Intermediate Similarity NPC302989
0.8387 Intermediate Similarity NPC239966
0.8387 Intermediate Similarity NPC119125
0.8387 Intermediate Similarity NPC203020
0.8387 Intermediate Similarity NPC166277
0.838 Intermediate Similarity NPC471029
0.8378 Intermediate Similarity NPC474465
0.8378 Intermediate Similarity NPC474044
0.8377 Intermediate Similarity NPC133984
0.8375 Intermediate Similarity NPC172807
0.8375 Intermediate Similarity NPC472386
0.8375 Intermediate Similarity NPC254540
0.8375 Intermediate Similarity NPC211594
0.837 Intermediate Similarity NPC226712
0.8355 Intermediate Similarity NPC299706
0.8355 Intermediate Similarity NPC115466
0.8355 Intermediate Similarity NPC61604
0.8355 Intermediate Similarity NPC245615
0.8345 Intermediate Similarity NPC198487
0.8344 Intermediate Similarity NPC94777
0.8333 Intermediate Similarity NPC84789
0.8333 Intermediate Similarity NPC310252
0.8333 Intermediate Similarity NPC199335
0.8333 Intermediate Similarity NPC111785
0.8333 Intermediate Similarity NPC302583
0.8333 Intermediate Similarity NPC100558
0.8323 Intermediate Similarity NPC289811
0.8323 Intermediate Similarity NPC160780
0.8323 Intermediate Similarity NPC279732
0.8322 Intermediate Similarity NPC185778
0.8322 Intermediate Similarity NPC212729
0.8313 Intermediate Similarity NPC210808
0.8313 Intermediate Similarity NPC199079
0.8312 Intermediate Similarity NPC127406
0.8312 Intermediate Similarity NPC261866
0.831 Intermediate Similarity NPC114116
0.8302 Intermediate Similarity NPC116745
0.8302 Intermediate Similarity NPC146792
0.8302 Intermediate Similarity NPC58716
0.8302 Intermediate Similarity NPC45618
0.8291 Intermediate Similarity NPC99216
0.8291 Intermediate Similarity NPC280923
0.8289 Intermediate Similarity NPC289438
0.8289 Intermediate Similarity NPC190217
0.8288 Intermediate Similarity NPC79908
0.828 Intermediate Similarity NPC56735
0.828 Intermediate Similarity NPC22324
0.828 Intermediate Similarity NPC61594
0.8278 Intermediate Similarity NPC229882
0.8278 Intermediate Similarity NPC158635
0.8278 Intermediate Similarity NPC107197
0.8272 Intermediate Similarity NPC43211
0.8272 Intermediate Similarity NPC237435
0.8272 Intermediate Similarity NPC477848
0.8272 Intermediate Similarity NPC264735
0.8272 Intermediate Similarity NPC135277
0.8272 Intermediate Similarity NPC101191
0.8272 Intermediate Similarity NPC210094
0.8272 Intermediate Similarity NPC49344
0.8272 Intermediate Similarity NPC115760
0.8269 Intermediate Similarity NPC289346
0.8267 Intermediate Similarity NPC218685
0.8267 Intermediate Similarity NPC116229
0.8267 Intermediate Similarity NPC472969
0.8264 Intermediate Similarity NPC104167
0.8264 Intermediate Similarity NPC186418
0.8264 Intermediate Similarity NPC166180
0.8261 Intermediate Similarity NPC288152
0.8261 Intermediate Similarity NPC257011
0.8261 Intermediate Similarity NPC9002
0.8261 Intermediate Similarity NPC137871
0.8261 Intermediate Similarity NPC470510
0.8258 Intermediate Similarity NPC43638
0.8258 Intermediate Similarity NPC1913
0.8258 Intermediate Similarity NPC60966
0.8258 Intermediate Similarity NPC226759
0.8258 Intermediate Similarity NPC472860
0.8255 Intermediate Similarity NPC473867
0.8252 Intermediate Similarity NPC87696
0.825 Intermediate Similarity NPC469931
0.825 Intermediate Similarity NPC472383
0.825 Intermediate Similarity NPC472381
0.825 Intermediate Similarity NPC58053
0.825 Intermediate Similarity NPC226294
0.825 Intermediate Similarity NPC112755
0.825 Intermediate Similarity NPC201292
0.825 Intermediate Similarity NPC93337
0.825 Intermediate Similarity NPC105025
0.825 Intermediate Similarity NPC186807
0.825 Intermediate Similarity NPC170675
0.825 Intermediate Similarity NPC475942
0.825 Intermediate Similarity NPC471457
0.825 Intermediate Similarity NPC67424
0.825 Intermediate Similarity NPC45638
0.8243 Intermediate Similarity NPC292443
0.8243 Intermediate Similarity NPC232228
0.8239 Intermediate Similarity NPC181616
0.8239 Intermediate Similarity NPC70441
0.8239 Intermediate Similarity NPC99957
0.8235 Intermediate Similarity NPC121001
0.8235 Intermediate Similarity NPC259767
0.8235 Intermediate Similarity NPC88484
0.8235 Intermediate Similarity NPC259182
0.8231 Intermediate Similarity NPC184053
0.8228 Intermediate Similarity NPC127415
0.8228 Intermediate Similarity NPC147596
0.8228 Intermediate Similarity NPC88043
0.8228 Intermediate Similarity NPC475183
0.8224 Intermediate Similarity NPC191154
0.8224 Intermediate Similarity NPC106025
0.8224 Intermediate Similarity NPC475890
0.8224 Intermediate Similarity NPC477240
0.8224 Intermediate Similarity NPC214454
0.8221 Intermediate Similarity NPC472382
0.8221 Intermediate Similarity NPC233994
0.8221 Intermediate Similarity NPC472991
0.8221 Intermediate Similarity NPC268533
0.8221 Intermediate Similarity NPC472992
0.8221 Intermediate Similarity NPC211532

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC164599 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
0.837 Intermediate Similarity NPD1091 Approved
0.8272 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8212 Intermediate Similarity NPD1653 Approved
0.8141 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD8455 Phase 2
0.7963 Intermediate Similarity NPD3818 Discontinued
0.7962 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD7054 Approved
0.7898 Intermediate Similarity NPD5402 Approved
0.7895 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD7472 Approved
0.7866 Intermediate Similarity NPD7074 Phase 3
0.7818 Intermediate Similarity NPD6797 Phase 2
0.7786 Intermediate Similarity NPD1608 Approved
0.7784 Intermediate Similarity NPD8313 Approved
0.7784 Intermediate Similarity NPD8312 Approved
0.7771 Intermediate Similarity NPD7251 Discontinued
0.7748 Intermediate Similarity NPD4628 Phase 3
0.7725 Intermediate Similarity NPD7808 Phase 3
0.7724 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD3787 Discontinued
0.7698 Intermediate Similarity NPD1778 Approved
0.7697 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD6233 Phase 2
0.7665 Intermediate Similarity NPD6559 Discontinued
0.7654 Intermediate Similarity NPD7199 Phase 2
0.7651 Intermediate Similarity NPD7033 Discontinued
0.761 Intermediate Similarity NPD2801 Approved
0.7597 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD6190 Approved
0.7578 Intermediate Similarity NPD7075 Discontinued
0.7571 Intermediate Similarity NPD17 Approved
0.756 Intermediate Similarity NPD7685 Pre-registration
0.755 Intermediate Similarity NPD7266 Discontinued
0.7547 Intermediate Similarity NPD37 Approved
0.7547 Intermediate Similarity NPD1934 Approved
0.7535 Intermediate Similarity NPD1481 Phase 2
0.7532 Intermediate Similarity NPD4380 Phase 2
0.7531 Intermediate Similarity NPD6234 Discontinued
0.753 Intermediate Similarity NPD3751 Discontinued
0.753 Intermediate Similarity NPD7228 Approved
0.7518 Intermediate Similarity NPD3496 Discontinued
0.7517 Intermediate Similarity NPD6653 Approved
0.7516 Intermediate Similarity NPD4967 Phase 2
0.7516 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD4965 Approved
0.7516 Intermediate Similarity NPD4966 Approved
0.75 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1613 Approved
0.7485 Intermediate Similarity NPD5844 Phase 1
0.7483 Intermediate Similarity NPD6798 Discontinued
0.7465 Intermediate Similarity NPD1535 Discovery
0.7455 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD3817 Phase 2
0.7452 Intermediate Similarity NPD5403 Approved
0.745 Intermediate Similarity NPD6355 Discontinued
0.745 Intermediate Similarity NPD447 Suspended
0.7434 Intermediate Similarity NPD6002 Phase 3
0.7434 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6005 Phase 3
0.7434 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6004 Phase 3
0.7434 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD6166 Phase 2
0.741 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD2861 Phase 2
0.7391 Intermediate Similarity NPD1465 Phase 2
0.7391 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD1549 Phase 2
0.7386 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1511 Approved
0.7372 Intermediate Similarity NPD6799 Approved
0.7368 Intermediate Similarity NPD1551 Phase 2
0.7368 Intermediate Similarity NPD2935 Discontinued
0.7365 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD7097 Phase 1
0.7338 Intermediate Similarity NPD6671 Approved
0.7338 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD230 Phase 1
0.7329 Intermediate Similarity NPD5647 Approved
0.7329 Intermediate Similarity NPD6801 Discontinued
0.7325 Intermediate Similarity NPD5401 Approved
0.7301 Intermediate Similarity NPD3882 Suspended
0.729 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD7819 Suspended
0.7278 Intermediate Similarity NPD1512 Approved
0.7267 Intermediate Similarity NPD4060 Phase 1
0.726 Intermediate Similarity NPD1203 Approved
0.7259 Intermediate Similarity NPD290 Approved
0.7255 Intermediate Similarity NPD6032 Approved
0.7255 Intermediate Similarity NPD6099 Approved
0.7255 Intermediate Similarity NPD6100 Approved
0.7253 Intermediate Similarity NPD7435 Discontinued
0.7237 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1652 Phase 2
0.7208 Intermediate Similarity NPD5762 Approved
0.7208 Intermediate Similarity NPD5763 Approved
0.72 Intermediate Similarity NPD4062 Phase 3
0.7192 Intermediate Similarity NPD3225 Approved
0.7183 Intermediate Similarity NPD9545 Approved
0.7182 Intermediate Similarity NPD6777 Approved
0.7182 Intermediate Similarity NPD6781 Approved
0.7182 Intermediate Similarity NPD6778 Approved
0.7182 Intermediate Similarity NPD6782 Approved
0.7182 Intermediate Similarity NPD6776 Approved
0.7182 Intermediate Similarity NPD6780 Approved
0.7182 Intermediate Similarity NPD6779 Approved
0.7172 Intermediate Similarity NPD9717 Approved
0.7166 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD7783 Phase 2
0.7162 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7411 Suspended
0.7159 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7240 Approved
0.7143 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2797 Approved
0.7143 Intermediate Similarity NPD1501 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3226 Approved
0.7133 Intermediate Similarity NPD7985 Registered
0.7133 Intermediate Similarity NPD3268 Approved
0.7125 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6674 Discontinued
0.7114 Intermediate Similarity NPD6832 Phase 2
0.7107 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD2533 Approved
0.7107 Intermediate Similarity NPD2532 Approved
0.7107 Intermediate Similarity NPD2534 Approved
0.7105 Intermediate Similarity NPD1933 Approved
0.7103 Intermediate Similarity NPD422 Phase 1
0.7099 Intermediate Similarity NPD6599 Discontinued
0.7083 Intermediate Similarity NPD6232 Discontinued
0.7078 Intermediate Similarity NPD1510 Phase 2
0.707 Intermediate Similarity NPD3750 Approved
0.7067 Intermediate Similarity NPD3027 Phase 3
0.7066 Intermediate Similarity NPD5494 Approved
0.7063 Intermediate Similarity NPD1894 Discontinued
0.7059 Intermediate Similarity NPD968 Approved
0.7055 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD2424 Discontinued
0.7047 Intermediate Similarity NPD9494 Approved
0.7037 Intermediate Similarity NPD7458 Discontinued
0.703 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7874 Approved
0.702 Intermediate Similarity NPD2313 Discontinued
0.702 Intermediate Similarity NPD411 Approved
0.7014 Intermediate Similarity NPD5585 Approved
0.6993 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6987 Remote Similarity NPD2346 Discontinued
0.6986 Remote Similarity NPD1610 Phase 2
0.6975 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6973 Remote Similarity NPD7697 Approved
0.6973 Remote Similarity NPD7696 Phase 3
0.6973 Remote Similarity NPD7698 Approved
0.6962 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4110 Phase 3
0.6959 Remote Similarity NPD7473 Discontinued
0.6954 Remote Similarity NPD7095 Approved
0.6949 Remote Similarity NPD8434 Phase 2
0.6944 Remote Similarity NPD1548 Phase 1
0.6935 Remote Similarity NPD7871 Phase 2
0.6935 Remote Similarity NPD7870 Phase 2
0.6928 Remote Similarity NPD1240 Approved
0.6923 Remote Similarity NPD2796 Approved
0.6923 Remote Similarity NPD6959 Discontinued
0.6923 Remote Similarity NPD2438 Suspended
0.6919 Remote Similarity NPD6823 Phase 2
0.6915 Remote Similarity NPD7701 Phase 2
0.6913 Remote Similarity NPD6362 Approved
0.6909 Remote Similarity NPD6844 Discontinued
0.6908 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6906 Remote Similarity NPD6534 Approved
0.6906 Remote Similarity NPD6535 Approved
0.6901 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6897 Remote Similarity NPD1357 Approved
0.6894 Remote Similarity NPD3146 Approved
0.6894 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6894 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4749 Approved
0.689 Remote Similarity NPD4972 Discontinued
0.6887 Remote Similarity NPD4908 Phase 1
0.6883 Remote Similarity NPD5124 Phase 1
0.6883 Remote Similarity NPD4622 Approved
0.6883 Remote Similarity NPD4618 Approved
0.6883 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7229 Phase 3
0.6879 Remote Similarity NPD7843 Approved
0.6875 Remote Similarity NPD5058 Phase 3
0.6871 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6871 Remote Similarity NPD3705 Approved
0.6871 Remote Similarity NPD1611 Approved
0.6867 Remote Similarity NPD1019 Discontinued

Structure

External Identifiers

PubChem CID   14104237
ChEMBL   CHEMBL2235399
ZINC  

Physicochemical Properties

Molecular Weight:  330.10
ALogP:  -2.8725
MLogP:  2.01
XLogP:  -1.009
# Rotatable Bonds:  11
Polar Surface Area:  156.91
# H-Bond Aceptor:  7
# H-Bond Donor:  6
# Rings:  2
# Heavy Atoms:  23

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