Natural Product: NPC122809

Natural Product ID:  NPC122809
Common Name:   Apiin
IUPAC Name:   7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Synonyms:  
Molecular Formula:   C26H28O14
Standard InCHIKey:  NTDLXWMIWOECHG-YRCFQSNFSA-N
Standard InCHI:  InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO
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
NPO1420 Tenebrio obscurus Species Tenebrionidae Eukaryota UNPD*
NPO11665 Kloeckera brevis NA NA NA UNPD*
NPO19748 Aspergillus phoenicis Species Aspergillaceae Eukaryota UNPD*
NPO157 Convallaria majalis Species Asparagaceae Eukaryota UNPD*
NPO27036 Xenia blumi Species Xeniidae Eukaryota UNPD*
NPO17743 Solanum aculeatum Species Solanaceae Eukaryota UNPD*
NPO21533 Smilax bracteata Species Smilacaceae Eukaryota UNPD*
NPO25198 Octopus vulgaris Species Octopodidae Eukaryota UNPD*
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota UNPD*
NPO10235 Castanopsis eyrei Species Fagaceae Eukaryota UNPD*
NPO21477 Euryops rupestris Species Asteraceae Eukaryota UNPD*
NPO25071 Aspergillus albus Species Aspergillaceae Eukaryota UNPD*
NPO20602 Trichomanes reniforme Species Hymenophyllaceae Eukaryota UNPD*
NPO20180 Rabdosia loxothyrsa Species Lamiaceae Eukaryota UNPD*
NPO6749 Bergenia crassifolia Species Saxifragaceae Eukaryota UNPD*
NPO1763 Rabdosia angustifolia Species Lamiaceae Eukaryota UNPD*
NPO2352 Tynanthus panurensis Species Bignoniaceae Eukaryota UNPD*
NPO25123 Scutellaria sieberi Species Lamiaceae Eukaryota UNPD*
NPO25444 Christisonia bicolor Species Orobanchaceae Eukaryota UNPD*
NPO13840 Streptomyces incarnatus Species Streptomycetaceae Bacteria UNPD*
NPO28772 Polygonum mite Species Polygonaceae Eukaryota UNPD*
NPO22051 Litsea verticillata Species Lauraceae Eukaryota UNPD*
NPO12907 Hypericum carinatum Species Hypericaceae Eukaryota UNPD*
NPO1068 Platytaenia lasiocarpa NA NA NA UNPD*
NPO20253 Eucalyptus decorticans Species Myrtaceae Eukaryota UNPD*
NPO12078 Vepris nobilis Species Rutaceae Eukaryota UNPD*
NPO6365 Pachychalina alcaloidifera Species Niphatidae Eukaryota UNPD*
NPO12656 Holarrhena febrifuga Species Apocynaceae Eukaryota UNPD*
NPO832 Pseudocinchona pachyceras Species Rubiaceae Eukaryota UNPD*
NPO8830 Crotalaria orixensis Species Fabaceae Eukaryota UNPD*
NPO8710 Licaria brasiliensis Species Lauraceae Eukaryota UNPD*
NPO26501 Palafoxia texana Species Asteraceae Eukaryota UNPD*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota TM-MC*
NPO26056 Atroxima liberica Species Polygalaceae Eukaryota UNPD*
NPO17203 Impatiens siculifer Species Balsaminaceae Eukaryota UNPD*
NPO26387 Linum crispum Species Linaceae Eukaryota UNPD*
NPO26919 Sanguisorba officinalis Species Rosaceae Eukaryota UNPD*
NPO6879 Laetia corymbulosa Species Salicaceae Eukaryota UNPD*
NPO5227 Lawsonia inermis Species Lythraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 20000 nM 19778086
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 501.2 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 707.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 145.8 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 69.17 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 141.47 % 23571415
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set

  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 NPC122809 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
0.98 High Similarity NPC265480
0.98 High Similarity NPC149368
0.9799 High Similarity NPC29763
0.9799 High Similarity NPC143851
0.9799 High Similarity NPC83283
0.9799 High Similarity NPC210003
0.9799 High Similarity NPC39360
0.9739 High Similarity NPC150164
0.9737 High Similarity NPC200708
0.9733 High Similarity NPC95090
0.9733 High Similarity NPC27408
0.9669 High Similarity NPC203500
0.9669 High Similarity NPC307938
0.9669 High Similarity NPC323593
0.9613 High Similarity NPC72016
0.9605 High Similarity NPC54802
0.9605 High Similarity NPC135391
0.9605 High Similarity NPC156457
0.9605 High Similarity NPC197304
0.9605 High Similarity NPC78263
0.9605 High Similarity NPC44931
0.9605 High Similarity NPC313163
0.9605 High Similarity NPC473512
0.9605 High Similarity NPC108831
0.9605 High Similarity NPC129827
0.9605 High Similarity NPC133671
0.9605 High Similarity NPC197896
0.9605 High Similarity NPC65003
0.9605 High Similarity NPC60966
0.9605 High Similarity NPC161749
0.9605 High Similarity NPC288084
0.9605 High Similarity NPC182634
0.9605 High Similarity NPC77672
0.9605 High Similarity NPC258035
0.9603 High Similarity NPC97052
0.9603 High Similarity NPC72649
0.9603 High Similarity NPC169248
0.9603 High Similarity NPC26195
0.9603 High Similarity NPC39351
0.96 High Similarity NPC259767
0.96 High Similarity NPC88484
0.96 High Similarity NPC259182
0.96 High Similarity NPC121001
0.9542 High Similarity NPC22062
0.9542 High Similarity NPC138811
0.9542 High Similarity NPC473634
0.9542 High Similarity NPC41121
0.9542 High Similarity NPC472459
0.9542 High Similarity NPC111929
0.9542 High Similarity NPC320283
0.9542 High Similarity NPC73511
0.9539 High Similarity NPC206378
0.9539 High Similarity NPC261866
0.9539 High Similarity NPC170475
0.9536 High Similarity NPC106625
0.9481 High Similarity NPC187379
0.9481 High Similarity NPC136761
0.9481 High Similarity NPC304741
0.9481 High Similarity NPC473623
0.9481 High Similarity NPC471079
0.9481 High Similarity NPC470405
0.9474 High Similarity NPC99233
0.9467 High Similarity NPC191154
0.9423 High Similarity NPC121703
0.9423 High Similarity NPC183672
0.9419 High Similarity NPC470125
0.9419 High Similarity NPC473438
0.9419 High Similarity NPC276377
0.9419 High Similarity NPC270675
0.9419 High Similarity NPC135846
0.9419 High Similarity NPC477628
0.9419 High Similarity NPC215710
0.9419 High Similarity NPC224530
0.9419 High Similarity NPC216496
0.9419 High Similarity NPC210961
0.9419 High Similarity NPC159579
0.9419 High Similarity NPC64305
0.9419 High Similarity NPC249281
0.9419 High Similarity NPC181465
0.9419 High Similarity NPC47923
0.9419 High Similarity NPC170052
0.9419 High Similarity NPC246943
0.9419 High Similarity NPC303913
0.9419 High Similarity NPC472994
0.9419 High Similarity NPC173582
0.9419 High Similarity NPC139320
0.9419 High Similarity NPC282169
0.9419 High Similarity NPC476215
0.9419 High Similarity NPC477629
0.9419 High Similarity NPC116458
0.9419 High Similarity NPC101636
0.9419 High Similarity NPC265885
0.9419 High Similarity NPC253788
0.9419 High Similarity NPC297987
0.9419 High Similarity NPC85707
0.9419 High Similarity NPC259957
0.9419 High Similarity NPC195685
0.9419 High Similarity NPC48093
0.9419 High Similarity NPC163242
0.9419 High Similarity NPC129217
0.9416 High Similarity NPC470607
0.9416 High Similarity NPC308265
0.9412 High Similarity NPC295613
0.9412 High Similarity NPC45165
0.9412 High Similarity NPC473657
0.9412 High Similarity NPC127406
0.9404 High Similarity NPC23253
0.9404 High Similarity NPC134819
0.9359 High Similarity NPC77660
0.9359 High Similarity NPC475382
0.9359 High Similarity NPC189142
0.9359 High Similarity NPC27942
0.9359 High Similarity NPC240306
0.9359 High Similarity NPC44947
0.9359 High Similarity NPC298171
0.9359 High Similarity NPC131745
0.9355 High Similarity NPC472320
0.9355 High Similarity NPC97285
0.9355 High Similarity NPC271479
0.9355 High Similarity NPC153342
0.9355 High Similarity NPC142860
0.9355 High Similarity NPC246469
0.9355 High Similarity NPC271270
0.9351 High Similarity NPC6985
0.9351 High Similarity NPC43638
0.9351 High Similarity NPC470606
0.9351 High Similarity NPC23817
0.9333 High Similarity NPC199335
0.9313 High Similarity NPC235575
0.9313 High Similarity NPC245452
0.9299 High Similarity NPC473644
0.9299 High Similarity NPC309025
0.9299 High Similarity NPC257566
0.9299 High Similarity NPC124155
0.9299 High Similarity NPC311850
0.9299 High Similarity NPC88023
0.9299 High Similarity NPC270335
0.9299 High Similarity NPC179198
0.9299 High Similarity NPC243930
0.9299 High Similarity NPC66087
0.9299 High Similarity NPC191306
0.9299 High Similarity NPC19709
0.9299 High Similarity NPC168822
0.9299 High Similarity NPC80068
0.9299 High Similarity NPC278419
0.929 High Similarity NPC104677
0.929 High Similarity NPC43761
0.9286 High Similarity NPC17521
0.9281 High Similarity NPC211158
0.9281 High Similarity NPC87304
0.9281 High Similarity NPC78021
0.9281 High Similarity NPC268950
0.9281 High Similarity NPC108706
0.9267 High Similarity NPC23084
0.9241 High Similarity NPC139060
0.9241 High Similarity NPC289667
0.9241 High Similarity NPC292929
0.9241 High Similarity NPC287889
0.9241 High Similarity NPC205824
0.9241 High Similarity NPC277205
0.9241 High Similarity NPC85751
0.9241 High Similarity NPC22832
0.9241 High Similarity NPC311830
0.9241 High Similarity NPC19240
0.9241 High Similarity NPC76831
0.9241 High Similarity NPC129264
0.9241 High Similarity NPC135358
0.9236 High Similarity NPC93215
0.9236 High Similarity NPC259834
0.9236 High Similarity NPC472876
0.9236 High Similarity NPC190450
0.9236 High Similarity NPC473043
0.9221 High Similarity NPC470605
0.9221 High Similarity NPC470604
0.9221 High Similarity NPC470603
0.9211 High Similarity NPC106025
0.9211 High Similarity NPC477240
0.9211 High Similarity NPC213723
0.9211 High Similarity NPC214454
0.9193 High Similarity NPC261254
0.9182 High Similarity NPC298666
0.9182 High Similarity NPC186816
0.9182 High Similarity NPC203145
0.9182 High Similarity NPC256188
0.9182 High Similarity NPC210073
0.9182 High Similarity NPC253662
0.9182 High Similarity NPC308404
0.9182 High Similarity NPC262222
0.9182 High Similarity NPC32641
0.9182 High Similarity NPC8856
0.9182 High Similarity NPC179950
0.9182 High Similarity NPC274618
0.9182 High Similarity NPC118284
0.9182 High Similarity NPC145038
0.9182 High Similarity NPC89809
0.9182 High Similarity NPC254306
0.9182 High Similarity NPC64425
0.9182 High Similarity NPC276222
0.9182 High Similarity NPC11432
0.9182 High Similarity NPC221342

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC122809 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
0.9605 High Similarity NPD4381 Clinical (unspecified phase)
0.9125 High Similarity NPD3818 Discontinued
0.9068 High Similarity NPD7054 Approved
0.9068 High Similarity NPD7804 Clinical (unspecified phase)
0.9012 High Similarity NPD7472 Approved
0.8961 High Similarity NPD4380 Phase 2
0.8957 High Similarity NPD6797 Phase 2
0.8902 High Similarity NPD7251 Discontinued
0.8896 High Similarity NPD7074 Phase 3
0.8848 High Similarity NPD4338 Clinical (unspecified phase)
0.8848 High Similarity NPD7808 Phase 3
0.8675 High Similarity NPD6559 Discontinued
0.8667 High Similarity NPD1550 Clinical (unspecified phase)
0.8667 High Similarity NPD1552 Clinical (unspecified phase)
0.8609 High Similarity NPD1549 Phase 2
0.8526 High Similarity NPD5403 Approved
0.8509 High Similarity NPD7075 Discontinued
0.8491 Intermediate Similarity NPD6801 Discontinued
0.8491 Intermediate Similarity NPD1934 Approved
0.8438 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD6166 Phase 2
0.8424 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8397 Intermediate Similarity NPD5401 Approved
0.8397 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8397 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD6799 Approved
0.8333 Intermediate Similarity NPD1511 Approved
0.8323 Intermediate Similarity NPD2801 Approved
0.8323 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7411 Suspended
0.8289 Intermediate Similarity NPD1510 Phase 2
0.8272 Intermediate Similarity NPD5402 Approved
0.8272 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8272 Intermediate Similarity NPD3817 Phase 2
0.8235 Intermediate Similarity NPD2796 Approved
0.8228 Intermediate Similarity NPD1512 Approved
0.8221 Intermediate Similarity NPD3882 Suspended
0.8221 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD3749 Approved
0.8026 Intermediate Similarity NPD1240 Approved
0.8025 Intermediate Similarity NPD6599 Discontinued
0.7988 Intermediate Similarity NPD7819 Suspended
0.7964 Intermediate Similarity NPD5494 Approved
0.7946 Intermediate Similarity NPD7584 Approved
0.7922 Intermediate Similarity NPD1607 Approved
0.7921 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD6959 Discontinued
0.7911 Intermediate Similarity NPD3750 Approved
0.7911 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD3751 Discontinued
0.7882 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD3787 Discontinued
0.7861 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD8312 Approved
0.7829 Intermediate Similarity NPD8313 Approved
0.7791 Intermediate Similarity NPD1653 Approved
0.7778 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD1551 Phase 2
0.7771 Intermediate Similarity NPD8455 Phase 2
0.773 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD7685 Pre-registration
0.7707 Intermediate Similarity NPD7033 Discontinued
0.7706 Intermediate Similarity NPD7199 Phase 2
0.7688 Intermediate Similarity NPD4628 Phase 3
0.7679 Intermediate Similarity NPD7768 Phase 2
0.7673 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD1091 Approved
0.7644 Intermediate Similarity NPD5844 Phase 1
0.7625 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD2800 Approved
0.7622 Intermediate Similarity NPD6780 Approved
0.7622 Intermediate Similarity NPD6777 Approved
0.7622 Intermediate Similarity NPD6782 Approved
0.7622 Intermediate Similarity NPD920 Approved
0.7622 Intermediate Similarity NPD6776 Approved
0.7622 Intermediate Similarity NPD6781 Approved
0.7622 Intermediate Similarity NPD6779 Approved
0.7622 Intermediate Similarity NPD6778 Approved
0.7607 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD3748 Approved
0.7593 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD7228 Approved
0.7571 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD1465 Phase 2
0.7558 Intermediate Similarity NPD6232 Discontinued
0.7554 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD7473 Discontinued
0.7526 Intermediate Similarity NPD7585 Approved
0.7516 Intermediate Similarity NPD1933 Approved
0.7516 Intermediate Similarity NPD1243 Approved
0.7514 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2532 Approved
0.75 Intermediate Similarity NPD2534 Approved
0.75 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD7435 Discontinued
0.75 Intermediate Similarity NPD2533 Approved
0.7485 Intermediate Similarity NPD6234 Discontinued
0.7474 Intermediate Similarity NPD7583 Approved
0.7471 Intermediate Similarity NPD4965 Approved
0.7471 Intermediate Similarity NPD4967 Phase 2
0.7471 Intermediate Similarity NPD4966 Approved
0.7452 Intermediate Similarity NPD1613 Approved
0.7452 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD1203 Approved
0.7444 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6832 Phase 2
0.7417 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD7783 Phase 2
0.7409 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7696 Phase 3
0.7407 Intermediate Similarity NPD1652 Phase 2
0.7407 Intermediate Similarity NPD7697 Approved
0.7407 Intermediate Similarity NPD7698 Approved
0.7405 Intermediate Similarity NPD5124 Phase 1
0.7405 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD8151 Discontinued
0.7394 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2344 Approved
0.7384 Intermediate Similarity NPD919 Approved
0.7383 Intermediate Similarity NPD1548 Phase 1
0.7368 Intermediate Similarity NPD7871 Phase 2
0.7368 Intermediate Similarity NPD7870 Phase 2
0.736 Intermediate Similarity NPD5953 Discontinued
0.7358 Intermediate Similarity NPD6651 Approved
0.7354 Intermediate Similarity NPD6823 Phase 2
0.7351 Intermediate Similarity NPD6535 Approved
0.7351 Intermediate Similarity NPD4360 Phase 2
0.7351 Intermediate Similarity NPD4363 Phase 3
0.7351 Intermediate Similarity NPD6534 Approved
0.7345 Intermediate Similarity NPD7286 Phase 2
0.7344 Intermediate Similarity NPD7701 Phase 2
0.7329 Intermediate Similarity NPD2935 Discontinued
0.7325 Intermediate Similarity NPD2313 Discontinued
0.7321 Intermediate Similarity NPD7458 Discontinued
0.7314 Intermediate Similarity NPD3926 Phase 2
0.7308 Intermediate Similarity NPD8434 Phase 2
0.7308 Intermediate Similarity NPD4908 Phase 1
0.7299 Intermediate Similarity NPD1247 Approved
0.729 Intermediate Similarity NPD2798 Approved
0.7284 Intermediate Similarity NPD7266 Discontinued
0.7273 Intermediate Similarity NPD3225 Approved
0.7273 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7874 Approved
0.7234 Intermediate Similarity NPD7700 Phase 2
0.7234 Intermediate Similarity NPD7699 Phase 2
0.7233 Intermediate Similarity NPD943 Approved
0.7231 Intermediate Similarity NPD7801 Approved
0.7228 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7240 Approved
0.7222 Intermediate Similarity NPD6100 Approved
0.7222 Intermediate Similarity NPD6099 Approved
0.7215 Intermediate Similarity NPD6798 Discontinued
0.7215 Intermediate Similarity NPD3268 Approved
0.7215 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD2309 Approved
0.7212 Intermediate Similarity NPD6190 Approved
0.7197 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD2654 Approved
0.719 Intermediate Similarity NPD422 Phase 1
0.719 Intermediate Similarity NPD1610 Phase 2
0.717 Intermediate Similarity NPD6233 Phase 2
0.716 Intermediate Similarity NPD2799 Discontinued
0.7143 Intermediate Similarity NPD9717 Approved
0.7135 Intermediate Similarity NPD4287 Approved
0.7135 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2424 Discontinued
0.7134 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD4361 Phase 2
0.7121 Intermediate Similarity NPD7930 Approved
0.7118 Intermediate Similarity NPD3226 Approved
0.7115 Intermediate Similarity NPD2797 Approved
0.7099 Intermediate Similarity NPD7097 Phase 1
0.7098 Intermediate Similarity NPD8319 Approved
0.7098 Intermediate Similarity NPD8320 Phase 1
0.7093 Intermediate Similarity NPD6844 Discontinued
0.7081 Intermediate Similarity NPD6355 Discontinued
0.7081 Intermediate Similarity NPD230 Phase 1
0.7066 Intermediate Similarity NPD5058 Phase 3
0.7062 Intermediate Similarity NPD5710 Approved
0.7062 Intermediate Similarity NPD5711 Approved
0.7055 Intermediate Similarity NPD4308 Phase 3
0.7048 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD3027 Phase 3
0.7027 Intermediate Similarity NPD8150 Discontinued
0.7024 Intermediate Similarity NPD7390 Discontinued
0.7021 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6212 Phase 3
0.7021 Intermediate Similarity NPD6213 Phase 3
0.7018 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD4288 Approved
0.7 Intermediate Similarity NPD3764 Approved
0.6983 Remote Similarity NPD2403 Approved
0.6982 Remote Similarity NPD4662 Approved
0.6982 Remote Similarity NPD4661 Approved
0.6975 Remote Similarity NPD447 Suspended
0.6975 Remote Similarity NPD1899 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5280746
ChEMBL   CHEMBL1535342
ZINC  

Physicochemical Properties

Molecular Weight:  564.15
ALogP:  -5.0401
MLogP:  2.78
XLogP:  -0.878
# Rotatable Bonds:  15
Polar Surface Area:  225.06
# H-Bond Aceptor:  10
# H-Bond Donor:  8
# Rings:  5
# Heavy Atoms:  40

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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