Natural Product: NPC131579

Natural Product ID:  NPC131579
Common Name:   Norkurarinol
IUPAC Name:   (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-2,3-dihydrochromen-4-one
Synonyms:   Norkurarinol
Molecular Formula:   C25H30O7
Standard InCHIKey:  PFTQIVMILQKDQN-PEBXRYMYSA-N
Standard InCHI:  InChI=1S/C25H30O7/c1-13(2)14(7-8-25(3,4)31)9-17-19(28)11-20(29)23-21(30)12-22(32-24(17)23)16-6-5-15(26)10-18(16)27/h5-6,10-11,14,22,26-29,31H,1,7-9,12H2,2-4H3/t14-,22+/m1/s1
Canonical SMILES:  Oc1ccc(c(c1)O)[C@@H]1CC(=O)c2c(O1)c(C[C@H](C(=C)C)CCC(O)(C)C)c(cc2O)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
NPO21495 Abelia chinensis Species Caprifoliaceae Eukaryota UNPD*
NPO20624 Simarouba glauca Species Simaroubaceae Eukaryota UNPD*
NPO20489 Epilobium hirsutum Species Onagraceae Eukaryota UNPD*
NPO9968 Shigella dysenteriae Species Enterobacteriaceae Bacteria UNPD*
NPO19511 Dolabella californica Species Aplysiidae Eukaryota UNPD*
NPO27367 Latrunculia magnifica Species Latrunculiidae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota UNPD*
NPO3430 Sophorae flavescentis radix NA NA NA TCMSP*
NPO12313 Haplophyllum obtusifolium Species Rutaceae Eukaryota UNPD*
NPO21562 Diospyros assimilis Species Ebenaceae Eukaryota UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota TM-MC*
NPO20421 Aplophyllum alberti-regelii NA NA NA UNPD*
NPO20142 Embelia schimperi Species Primulaceae Eukaryota UNPD*
NPO12265 Aquilaria agallochum Species Thymelaeaceae Eukaryota TCMID*
NPO20843 Monsonia senegalensis Species Geraniaceae Eukaryota UNPD*
NPO5903 Conus mus Species Conidae Eukaryota UNPD*
NPO18668 Asimina parviflora Species Annonaceae Eukaryota UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota TCMID*
NPO17560 Pancratium sickenbergeri Species Amaryllidaceae Eukaryota UNPD*
NPO19810 Myxococcus stipitatus Species Myxococcaceae Bacteria UNPD*
NPO17849 Centaurea maculosa Species Asteraceae Eukaryota UNPD*
NPO4051 Tricholoma columbetta Species Tricholomataceae Eukaryota UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota HerDing*
NPO19667 Hypericum styphelioides Species Hypericaceae Eukaryota UNPD*
NPO14241 Planchonia grandis Species Asterolecaniidae Eukaryota UNPD*
NPO29756 Aquilaria agallocha Species Thymelaeaceae Eukaryota HerDing*
NPO22937 Vernonia fagifolia Species Asteraceae Eukaryota UNPD*
NPO28072 Theonella conica Species Theonellidae Eukaryota UNPD*
NPO20680 Erythrina melanacantha Species Fabaceae Eukaryota UNPD*
NPO20879 Clerodendrum bungei Species Lamiaceae Eukaryota UNPD*
NPO21243 Siphonaria capensis Species Siphonariidae Eukaryota UNPD*
NPO21631 Faramea salicifolia Species Rubiaceae Eukaryota UNPD*
NPO21170 Embelia parviflora Species Primulaceae Eukaryota UNPD*
NPO18286 Lycogala epidendrum Species Enteridiidae Eukaryota UNPD*
NPO20598 Lythrum salicaria Species Lythraceae Eukaryota UNPD*
NPO21108 Eria anomala Species Orchidaceae Eukaryota UNPD*
NPO18866 Pteridium esculentum Species Dennstaedtiaceae Eukaryota UNPD*
NPO22961 Cordia leucocephala Species Cordiaceae Eukaryota UNPD*
NPO16569 Gymnocalycium schickendantzii Species Cactaceae Eukaryota UNPD*
NPO21038 Lemaireocereus longispinus Species Cactaceae Eukaryota UNPD*
NPO28202 Helichrysum tenuifolium Species Asteraceae Eukaryota UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota UNPD*
NPO18143 Dendronephthya griffini Species Nephtheidae Eukaryota UNPD*
NPO3152 Morella rubra Species Myricaceae Eukaryota UNPD*
NPO18473 Plathymenia reticulata Species Fabaceae Eukaryota UNPD*
NPO19036 Esenbeckia leiocarpa Species Rutaceae Eukaryota UNPD*
NPO19912 Vellozia nanuzae Species Velloziaceae Eukaryota UNPD*
NPO12056 Chondrodendron tomentosum Species Menispermaceae Eukaryota UNPD*
NPO20084 Atraphaxis spinosa Species Polygonaceae Eukaryota UNPD*
NPO21375 Euphorbia nematocypha Species Euphorbiaceae Eukaryota UNPD*
NPO13449 Syzygium polycephaloides Species Myrtaceae Eukaryota UNPD*
NPO19995 Baccharis neglecta Species Asteraceae Eukaryota UNPD*
NPO16141 Piper regnellii Species Piperaceae Eukaryota UNPD*
NPO17258 Rhinella marina Species Bufonidae Eukaryota UNPD*
NPO17334 Onopordum acanthium Species Asteraceae Eukaryota UNPD*
NPO11523 Erysimum leptophyllum Species Brassicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 18300 nM 18938076
NPT2 Others Unspecified Ki = 22700 nM 18938076

  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 NPC131579 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 NPC131568
0.9928 High Similarity NPC107177
0.9928 High Similarity NPC77794
0.9928 High Similarity NPC278249
0.9928 High Similarity NPC125894
0.9928 High Similarity NPC127059
0.9928 High Similarity NPC85162
0.9928 High Similarity NPC81697
0.9928 High Similarity NPC223812
0.9928 High Similarity NPC214166
0.9928 High Similarity NPC285630
0.9928 High Similarity NPC478086
0.9928 High Similarity NPC316816
0.9856 High Similarity NPC235217
0.9856 High Similarity NPC473014
0.9856 High Similarity NPC473015
0.9856 High Similarity NPC473013
0.9856 High Similarity NPC209040
0.9855 High Similarity NPC10937
0.9855 High Similarity NPC167624
0.9855 High Similarity NPC107572
0.9855 High Similarity NPC194432
0.9855 High Similarity NPC182852
0.9855 High Similarity NPC1089
0.9855 High Similarity NPC166934
0.9855 High Similarity NPC125855
0.9855 High Similarity NPC227579
0.9855 High Similarity NPC220998
0.9855 High Similarity NPC76372
0.9855 High Similarity NPC306829
0.9855 High Similarity NPC223500
0.9855 High Similarity NPC32739
0.9855 High Similarity NPC161506
0.9855 High Similarity NPC265040
0.9855 High Similarity NPC37496
0.9855 High Similarity NPC328164
0.9855 High Similarity NPC324134
0.9855 High Similarity NPC228504
0.9855 High Similarity NPC76338
0.9855 High Similarity NPC78
0.9855 High Similarity NPC166482
0.9855 High Similarity NPC40833
0.9855 High Similarity NPC148757
0.9855 High Similarity NPC296917
0.9855 High Similarity NPC64915
0.9855 High Similarity NPC324436
0.9855 High Similarity NPC177354
0.9855 High Similarity NPC66515
0.9786 High Similarity NPC176229
0.9786 High Similarity NPC142405
0.9786 High Similarity NPC67805
0.9786 High Similarity NPC246948
0.9786 High Similarity NPC301276
0.9786 High Similarity NPC83357
0.9786 High Similarity NPC88964
0.9786 High Similarity NPC470647
0.9786 High Similarity NPC111786
0.9786 High Similarity NPC54577
0.9786 High Similarity NPC195621
0.9786 High Similarity NPC214774
0.9786 High Similarity NPC312973
0.9786 High Similarity NPC267375
0.9786 High Similarity NPC20488
0.9786 High Similarity NPC475052
0.9784 High Similarity NPC143896
0.9784 High Similarity NPC175504
0.9784 High Similarity NPC149026
0.9784 High Similarity NPC39329
0.9784 High Similarity NPC310130
0.9784 High Similarity NPC150408
0.9784 High Similarity NPC75049
0.9784 High Similarity NPC68104
0.9784 High Similarity NPC91560
0.9784 High Similarity NPC164980
0.9784 High Similarity NPC169591
0.9784 High Similarity NPC221432
0.9784 High Similarity NPC257097
0.9784 High Similarity NPC185276
0.9783 High Similarity NPC96408
0.9783 High Similarity NPC248372
0.9783 High Similarity NPC4743
0.9783 High Similarity NPC279650
0.9783 High Similarity NPC312391
0.9783 High Similarity NPC258630
0.9783 High Similarity NPC213322
0.9783 High Similarity NPC110038
0.9783 High Similarity NPC324386
0.9783 High Similarity NPC156190
0.9783 High Similarity NPC17170
0.9783 High Similarity NPC166689
0.9718 High Similarity NPC473016
0.9716 High Similarity NPC472627
0.9716 High Similarity NPC283234
0.9716 High Similarity NPC110303
0.9716 High Similarity NPC296998
0.9716 High Similarity NPC23728
0.9716 High Similarity NPC473077
0.9714 High Similarity NPC271288
0.9714 High Similarity NPC197252
0.9714 High Similarity NPC236766
0.9712 High Similarity NPC147145
0.971 High Similarity NPC129853
0.971 High Similarity NPC110228
0.971 High Similarity NPC76445
0.971 High Similarity NPC188243
0.971 High Similarity NPC6407
0.971 High Similarity NPC284550
0.9648 High Similarity NPC132592
0.9648 High Similarity NPC161191
0.9648 High Similarity NPC160821
0.9645 High Similarity NPC470134
0.9645 High Similarity NPC109183
0.9645 High Similarity NPC476088
0.9645 High Similarity NPC474161
0.9645 High Similarity NPC477955
0.9645 High Similarity NPC470131
0.9645 High Similarity NPC473078
0.9645 High Similarity NPC472629
0.9645 High Similarity NPC470132
0.9645 High Similarity NPC470133
0.9643 High Similarity NPC18585
0.9643 High Similarity NPC106985
0.9643 High Similarity NPC166138
0.964 High Similarity NPC282300
0.964 High Similarity NPC3188
0.9638 High Similarity NPC222342
0.9638 High Similarity NPC20709
0.9638 High Similarity NPC140890
0.9638 High Similarity NPC265871
0.9638 High Similarity NPC225153
0.9638 High Similarity NPC274784
0.9638 High Similarity NPC150648
0.9638 High Similarity NPC329203
0.9638 High Similarity NPC310135
0.958 High Similarity NPC472628
0.958 High Similarity NPC104236
0.958 High Similarity NPC164205
0.9577 High Similarity NPC300988
0.9577 High Similarity NPC308200
0.9577 High Similarity NPC10990
0.9574 High Similarity NPC470890
0.9574 High Similarity NPC87486
0.9574 High Similarity NPC470136
0.9574 High Similarity NPC319752
0.9574 High Similarity NPC470135
0.9574 High Similarity NPC124780
0.9574 High Similarity NPC39045
0.9571 High Similarity NPC11561
0.9571 High Similarity NPC144499
0.9571 High Similarity NPC226636
0.9568 High Similarity NPC69769
0.9568 High Similarity NPC241100
0.9568 High Similarity NPC159275
0.9568 High Similarity NPC150522
0.9565 High Similarity NPC118813
0.9514 High Similarity NPC471115
0.9514 High Similarity NPC472633
0.9514 High Similarity NPC29777
0.951 High Similarity NPC145467
0.951 High Similarity NPC189087
0.951 High Similarity NPC321623
0.951 High Similarity NPC39195
0.9507 High Similarity NPC476153
0.9507 High Similarity NPC187282
0.9507 High Similarity NPC228779
0.9507 High Similarity NPC215885
0.9507 High Similarity NPC24136
0.9507 High Similarity NPC2416
0.9507 High Similarity NPC290133
0.9504 High Similarity NPC471621
0.9504 High Similarity NPC219915
0.9504 High Similarity NPC38219
0.95 High Similarity NPC147688
0.95 High Similarity NPC118840
0.95 High Similarity NPC103362
0.95 High Similarity NPC156590
0.95 High Similarity NPC110969
0.95 High Similarity NPC205006
0.95 High Similarity NPC64908
0.9496 High Similarity NPC301217
0.9496 High Similarity NPC11566
0.9496 High Similarity NPC261234
0.9496 High Similarity NPC220062
0.9496 High Similarity NPC78913
0.9496 High Similarity NPC96565
0.9496 High Similarity NPC216978
0.9496 High Similarity NPC303633
0.9496 High Similarity NPC217186
0.9496 High Similarity NPC55018
0.9496 High Similarity NPC53181
0.9496 High Similarity NPC18260
0.9496 High Similarity NPC23257
0.9493 High Similarity NPC12296
0.9493 High Similarity NPC79943
0.9493 High Similarity NPC243083
0.9493 High Similarity NPC32441
0.9493 High Similarity NPC13768
0.9493 High Similarity NPC259685
0.9493 High Similarity NPC287246
0.9493 High Similarity NPC295261

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC131579 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
0.9493 High Similarity NPD1552 Clinical (unspecified phase)
0.9493 High Similarity NPD1550 Clinical (unspecified phase)
0.9424 High Similarity NPD1549 Phase 2
0.9301 High Similarity NPD4378 Clinical (unspecified phase)
0.9257 High Similarity NPD8443 Clinical (unspecified phase)
0.9189 High Similarity NPD2393 Clinical (unspecified phase)
0.9167 High Similarity NPD7410 Clinical (unspecified phase)
0.9054 High Similarity NPD7411 Suspended
0.9007 High Similarity NPD7075 Discontinued
0.9007 High Similarity NPD2796 Approved
0.8986 High Similarity NPD4380 Phase 2
0.8936 High Similarity NPD1510 Phase 2
0.8933 High Similarity NPD7096 Clinical (unspecified phase)
0.8921 High Similarity NPD1240 Approved
0.8867 High Similarity NPD1934 Approved
0.8808 High Similarity NPD7819 Suspended
0.8794 High Similarity NPD1607 Approved
0.8742 High Similarity NPD6801 Discontinued
0.8636 High Similarity NPD4381 Clinical (unspecified phase)
0.859 High Similarity NPD6959 Discontinued
0.8581 High Similarity NPD6799 Approved
0.8562 High Similarity NPD7421 Clinical (unspecified phase)
0.8544 High Similarity NPD7852 Clinical (unspecified phase)
0.85 High Similarity NPD7804 Clinical (unspecified phase)
0.8456 Intermediate Similarity NPD1511 Approved
0.8452 Intermediate Similarity NPD7768 Phase 2
0.8442 Intermediate Similarity NPD2801 Approved
0.8428 Intermediate Similarity NPD6166 Phase 2
0.8428 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8428 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8408 Intermediate Similarity NPD5494 Approved
0.8403 Intermediate Similarity NPD6651 Approved
0.838 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8366 Intermediate Similarity NPD6599 Discontinued
0.8344 Intermediate Similarity NPD1512 Approved
0.8333 Intermediate Similarity NPD3882 Suspended
0.8311 Intermediate Similarity NPD2800 Approved
0.828 Intermediate Similarity NPD3749 Approved
0.8255 Intermediate Similarity NPD3750 Approved
0.8252 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8243 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD1551 Phase 2
0.8221 Intermediate Similarity NPD7074 Phase 3
0.8182 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.817 Intermediate Similarity NPD5403 Approved
0.8163 Intermediate Similarity NPD2799 Discontinued
0.816 Intermediate Similarity NPD7054 Approved
0.8153 Intermediate Similarity NPD3817 Phase 2
0.8129 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD6559 Discontinued
0.8112 Intermediate Similarity NPD4908 Phase 1
0.811 Intermediate Similarity NPD7472 Approved
0.8108 Intermediate Similarity NPD6099 Approved
0.8108 Intermediate Similarity NPD6100 Approved
0.8108 Intermediate Similarity NPD2935 Discontinued
0.8101 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD3818 Discontinued
0.8082 Intermediate Similarity NPD5124 Phase 1
0.8082 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD1243 Approved
0.8061 Intermediate Similarity NPD5953 Discontinued
0.8061 Intermediate Similarity NPD6797 Phase 2
0.8052 Intermediate Similarity NPD920 Approved
0.8049 Intermediate Similarity NPD7286 Phase 2
0.8041 Intermediate Similarity NPD7033 Discontinued
0.8039 Intermediate Similarity NPD2533 Approved
0.8039 Intermediate Similarity NPD2534 Approved
0.8039 Intermediate Similarity NPD5401 Approved
0.8039 Intermediate Similarity NPD2532 Approved
0.8037 Intermediate Similarity NPD7473 Discontinued
0.8026 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD7251 Discontinued
0.8 Intermediate Similarity NPD1610 Phase 2
0.7964 Intermediate Similarity NPD7808 Phase 3
0.7963 Intermediate Similarity NPD6232 Discontinued
0.7962 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD5844 Phase 1
0.7933 Intermediate Similarity NPD2344 Approved
0.7922 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD4363 Phase 3
0.7919 Intermediate Similarity NPD4360 Phase 2
0.7919 Intermediate Similarity NPD3748 Approved
0.7902 Intermediate Similarity NPD1203 Approved
0.7895 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD4628 Phase 3
0.7877 Intermediate Similarity NPD2313 Discontinued
0.7877 Intermediate Similarity NPD3268 Approved
0.7862 Intermediate Similarity NPD6832 Phase 2
0.7857 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7842 Intermediate Similarity NPD1548 Phase 1
0.7812 Intermediate Similarity NPD5402 Approved
0.78 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD2797 Approved
0.7727 Intermediate Similarity NPD2309 Approved
0.7724 Intermediate Similarity NPD2798 Approved
0.7722 Intermediate Similarity NPD3226 Approved
0.7697 Intermediate Similarity NPD2346 Discontinued
0.7692 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD9717 Approved
0.7687 Intermediate Similarity NPD4625 Phase 3
0.767 Intermediate Similarity NPD4361 Phase 2
0.767 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD919 Approved
0.7651 Intermediate Similarity NPD943 Approved
0.7633 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD7390 Discontinued
0.7627 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD422 Phase 1
0.761 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD2654 Approved
0.7576 Intermediate Similarity NPD1247 Approved
0.7574 Intermediate Similarity NPD1729 Discontinued
0.7566 Intermediate Similarity NPD4308 Phase 3
0.7534 Intermediate Similarity NPD3266 Approved
0.7534 Intermediate Similarity NPD3267 Approved
0.7533 Intermediate Similarity NPD1613 Approved
0.7533 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD5711 Approved
0.753 Intermediate Similarity NPD5710 Approved
0.7517 Intermediate Similarity NPD6798 Discontinued
0.7517 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD4749 Approved
0.75 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7458 Discontinued
0.7485 Intermediate Similarity NPD3926 Phase 2
0.7483 Intermediate Similarity NPD1933 Approved
0.7466 Intermediate Similarity NPD3225 Approved
0.7465 Intermediate Similarity NPD9545 Approved
0.7448 Intermediate Similarity NPD1608 Approved
0.7448 Intermediate Similarity NPD3972 Approved
0.7446 Intermediate Similarity NPD7584 Approved
0.7432 Intermediate Similarity NPD2861 Phase 2
0.7425 Intermediate Similarity NPD7229 Phase 3
0.7423 Intermediate Similarity NPD1465 Phase 2
0.7419 Intermediate Similarity NPD2424 Discontinued
0.7407 Intermediate Similarity NPD5889 Approved
0.7407 Intermediate Similarity NPD5890 Approved
0.7403 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD8313 Approved
0.7399 Intermediate Similarity NPD8312 Approved
0.7384 Intermediate Similarity NPD6104 Discontinued
0.7383 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6355 Discontinued
0.7362 Intermediate Similarity NPD7577 Discontinued
0.7357 Intermediate Similarity NPD1241 Discontinued
0.7355 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD3751 Discontinued
0.7346 Intermediate Similarity NPD6585 Discontinued
0.7325 Intermediate Similarity NPD7003 Approved
0.7324 Intermediate Similarity NPD9493 Approved
0.7321 Intermediate Similarity NPD3787 Discontinued
0.7317 Intermediate Similarity NPD5761 Phase 2
0.7317 Intermediate Similarity NPD5760 Phase 2
0.7315 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD4307 Phase 2
0.7296 Intermediate Similarity NPD7213 Phase 3
0.7296 Intermediate Similarity NPD7212 Phase 2
0.7288 Intermediate Similarity NPD4287 Approved
0.7285 Intermediate Similarity NPD1296 Phase 2
0.7285 Intermediate Similarity NPD3764 Approved
0.7278 Intermediate Similarity NPD3887 Approved
0.7273 Intermediate Similarity NPD4288 Approved
0.7273 Intermediate Similarity NPD8434 Phase 2
0.7262 Intermediate Similarity NPD7199 Phase 2
0.7261 Intermediate Similarity NPD1652 Phase 2
0.726 Intermediate Similarity NPD1201 Approved
0.7256 Intermediate Similarity NPD6844 Discontinued
0.7255 Intermediate Similarity NPD230 Phase 1
0.7251 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD4661 Approved
0.725 Intermediate Similarity NPD4662 Approved
0.7248 Intermediate Similarity NPD1019 Discontinued
0.7244 Intermediate Similarity NPD6005 Phase 3
0.7244 Intermediate Similarity NPD6004 Phase 3
0.7244 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD6002 Phase 3
0.7244 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD17 Approved
0.7237 Intermediate Similarity NPD6233 Phase 2
0.7235 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD2403 Approved
0.7225 Intermediate Similarity NPD3823 Discontinued
0.7219 Intermediate Similarity NPD3027 Phase 3
0.7213 Intermediate Similarity NPD6777 Approved
0.7213 Intermediate Similarity NPD6780 Approved
0.7213 Intermediate Similarity NPD6781 Approved
0.7213 Intermediate Similarity NPD6778 Approved
0.7213 Intermediate Similarity NPD6779 Approved
0.7213 Intermediate Similarity NPD6776 Approved
0.7213 Intermediate Similarity NPD6782 Approved
0.7212 Intermediate Similarity NPD8455 Phase 2
0.7205 Intermediate Similarity NPD5049 Phase 3
0.7205 Intermediate Similarity NPD6273 Approved
0.719 Intermediate Similarity NPD4060 Phase 1
0.719 Intermediate Similarity NPD3142 Approved
0.719 Intermediate Similarity NPD3140 Approved
0.7188 Intermediate Similarity NPD6143 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44563159
ChEMBL   CHEMBL454647
ZINC  

Physicochemical Properties

Molecular Weight:  442.20
ALogP:  -0.4607
MLogP:  3.44
XLogP:  2.203
# Rotatable Bonds:  15
Polar Surface Area:  127.45
# H-Bond Aceptor:  2
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  32

Download Data

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