Natural Product: NPC161749

Natural Product ID:  NPC161749
Common Name:   Daidzin
IUPAC Name:   3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Synonyms:   Dadzin; Daidzin
Molecular Formula:   C21H20O9
Standard InCHIKey:  KYQZWONCHDNPDP-QNDFHXLGSA-N
Standard InCHI:  InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)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
NPO8707.1 Pueraria montana var. lobata Varieties Fabaceae Eukaryota TM-MC*
NPO17134 Amietophrynus regularis Species Bufonidae Eukaryota UNPD*
NPO8707.2 Pueraria montana var. thomsonii Varieties Fabaceae Eukaryota TM-MC*
NPO25652 Clavulinopsis pulchra Species Clavariaceae Eukaryota UNPD*
NPO8380 Hibiscus schizopetalus Species Malvaceae Eukaryota UNPD*
NPO26530 Passiflora bryonioides Species Passifloraceae Eukaryota UNPD*
NPO5081 Amorphinopsis foetida Species Halichondriidae Eukaryota UNPD*
NPO7552 Alligator mississippiensis Species Alligatoridae Eukaryota UNPD*
NPO10684 Parameria laevigata Species Apocynaceae Eukaryota UNPD*
NPO8612 Flemingia macrophylla Species Fabaceae Eukaryota UNPD*
NPO13715 Bertya dimerostigma Species Euphorbiaceae Eukaryota UNPD*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TM-MC*
NPO26756 Karlodinium veneficum Species Kareniaceae Eukaryota UNPD*
NPO10059 Hyoscyamus pusillus Species Solanaceae Eukaryota UNPD*
NPO25932 Delphinium barbeyi Species Ranunculaceae Eukaryota UNPD*
NPO28160 Alchemilla vulgaris Species Rosaceae Eukaryota UNPD*
NPO7995 Tolypocladium album Species Ophiocordycipitaceae Eukaryota UNPD*
NPO11574 Usnea canariensis Species Parmeliaceae Eukaryota UNPD*
NPO6748 Strongylodesma algoaensis NA NA NA UNPD*
NPO25132 [clostridium] cellulolyticum Species Ruminococcaceae Bacteria UNPD*
NPO26831 Buxus harlandi Species Buxaceae Eukaryota UNPD*
NPO26402 Caesalpinia crista Species Fabaceae Eukaryota UNPD*
NPO11386 Chelonaplysilla violacea Species Darwinellidae Eukaryota UNPD*
NPO5479 Astragalus wiedemannianus Species Fabaceae Eukaryota UNPD*
NPO21015 Nardophyllum bryoides Species Asteraceae Eukaryota UNPD*
NPO26158 Aspergillus carbonarius Species Aspergillaceae Eukaryota UNPD*
NPO32782 ducrosia ismaelis Species Apiaceae Eukaryota Aerial parts PMID[24953601]
NPO14686 Justicia adhatoda Species Acanthaceae Eukaryota UNPD*
NPO30303 Pueraria lobata Species Fabaceae Eukaryota PMID[25679337]
NPO7255 Pterocarpus indicus Species Fabaceae Eukaryota UNPD*
NPO33629 Peruraria lobata Species NA NA PMID[18613661]
NPO25267 Ardisia brevicaulis Species Primulaceae Eukaryota UNPD*
NPO25841 Caulophyllum thalictroides Species Berberidaceae Eukaryota UNPD*
NPO26748 Leptoclinides dubius Species Didemnidae Eukaryota UNPD*
NPO9446 Asterias rathbuni Species Asteriidae Eukaryota UNPD*
NPO14098 Styrax agrestis Species Styracaceae Eukaryota UNPD*
NPO19909 Eria villosissima Species Orchidaceae Eukaryota UNPD*
NPO23203 Sojae semen praeparatum NA NA NA TCMSP*
NPO24543 Platymiscium floribundum Species Fabaceae Eukaryota UNPD*
NPO29722 Cyathulae radix NA NA NA TCMSP*
NPO8707.2 Pueraria montana var. thomsonii Varieties Fabaceae Eukaryota UNPD*
NPO5168 Radix puerariae Species Lymnaeidae Eukaryota TCMSP*
NPO19797 Lobaria laetevirens Species Lobariaceae Eukaryota UNPD*
NPO236 Sojae semen nigrum NA NA NA TCMSP*
NPO6243 Fomes fastuosus Species Coriolaceae Eukaryota UNPD*
NPO7635 Glycine max Species Fabaceae Eukaryota TM-MC*
NPO453 Teucrium marum Species Lamiaceae Eukaryota UNPD*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO12927 Astragalus bicuspis Species Fabaceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO25867 Malpighia emarginata Species Malpighiaceae Eukaryota UNPD*
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2731 Protein Family Monoamine oxidase Homo sapiens Inhibition = 18.7 % 11063613
NPT2731 Protein Family Monoamine oxidase Homo sapiens Inhibition = 43.7 % 11063613
NPT2731 Protein Family Monoamine oxidase Homo sapiens Inhibition = 64.4 % 11063613
NPT2731 Protein Family Monoamine oxidase Homo sapiens Inhibition = 76.3 % 11063613
NPT2732 Individual Protein Aldehyde dehydrogenase Homo sapiens IC50 = 40 nM 11063613
NPT2732 Individual Protein Aldehyde dehydrogenase Homo sapiens IC50 = 80 nM 11563931
NPT1310 Individual Protein Xanthine dehydrogenase Bos taurus Inhibition = 0 % 3379415
NPT2 Others Unspecified Activity = 0 8882428
NPT2 Others Unspecified IC50 = 80 nM 18613661
NPT35 Others n.a. Activity = 0.072 MU 19944611
NPT2 Others Unspecified Activity = 1.15 MU 19944611
NPT2 Others Unspecified Activity = 0.035 MU 19944611
NPT35 Others n.a. Activity = 71.8 ug/ml 19944611
NPT520 Cell Line 3T3-L1 Mus musculus FC = 1.15 20605096
NPT2 Others Unspecified IC50 = 12900 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 2930.9 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 5623.4 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 16360.1 nM PubChem BioAssay data set
NPT4 Individual Protein Large T antigen Simian virus 40 IC50 > 100000 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 10322.5 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 26854.5 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 17.62 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -0.76 % 23062825
NPT2956 Individual Protein Interleukin-2 Homo sapiens Kd = 3380 nM 24974349
NPT65 Cell Line HepG2 Homo sapiens IC50 = 61200 nM 24974349
NPT35 Others n.a. Ratio > 20 24953601
NPT2 Others Unspecified Potency 15848.9 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 NPC161749 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 NPC313163
1.0 High Similarity NPC197896
1.0 High Similarity NPC258035
1.0 High Similarity NPC156457
0.9933 High Similarity NPC73511
0.9803 High Similarity NPC303913
0.98 High Similarity NPC170475
0.98 High Similarity NPC45165
0.9799 High Similarity NPC83283
0.9799 High Similarity NPC29763
0.9799 High Similarity NPC143851
0.9799 High Similarity NPC39360
0.9799 High Similarity NPC210003
0.9737 High Similarity NPC472320
0.9737 High Similarity NPC271479
0.9733 High Similarity NPC39351
0.9733 High Similarity NPC26195
0.9733 High Similarity NPC99233
0.9733 High Similarity NPC169248
0.9733 High Similarity NPC72649
0.9733 High Similarity NPC27408
0.9733 High Similarity NPC97052
0.9733 High Similarity NPC95090
0.9732 High Similarity NPC88484
0.9732 High Similarity NPC121001
0.9732 High Similarity NPC259767
0.9732 High Similarity NPC259182
0.9673 High Similarity NPC47923
0.9671 High Similarity NPC43761
0.9671 High Similarity NPC308265
0.9669 High Similarity NPC203500
0.9669 High Similarity NPC307938
0.9669 High Similarity NPC261866
0.9669 High Similarity NPC323593
0.9669 High Similarity NPC206378
0.9667 High Similarity NPC106625
0.961 High Similarity NPC44947
0.961 High Similarity NPC131745
0.9608 High Similarity NPC200708
0.9605 High Similarity NPC54802
0.9605 High Similarity NPC135391
0.9605 High Similarity NPC65003
0.9605 High Similarity NPC23817
0.9605 High Similarity NPC197304
0.9605 High Similarity NPC78263
0.9605 High Similarity NPC44931
0.9605 High Similarity NPC129827
0.9605 High Similarity NPC108831
0.9605 High Similarity NPC133671
0.9605 High Similarity NPC60966
0.9605 High Similarity NPC182634
0.9605 High Similarity NPC77672
0.9605 High Similarity NPC122809
0.9605 High Similarity NPC43638
0.9605 High Similarity NPC473512
0.9548 High Similarity NPC183672
0.9548 High Similarity NPC179198
0.9548 High Similarity NPC124155
0.9548 High Similarity NPC257566
0.9548 High Similarity NPC168822
0.9548 High Similarity NPC66087
0.9548 High Similarity NPC278419
0.9545 High Similarity NPC477629
0.9545 High Similarity NPC270675
0.9545 High Similarity NPC210961
0.9545 High Similarity NPC195685
0.9545 High Similarity NPC472994
0.9545 High Similarity NPC477628
0.9542 High Similarity NPC22062
0.9542 High Similarity NPC138811
0.9542 High Similarity NPC41121
0.9542 High Similarity NPC472459
0.9542 High Similarity NPC320283
0.9542 High Similarity NPC111929
0.9542 High Similarity NPC473634
0.9539 High Similarity NPC149368
0.9539 High Similarity NPC265480
0.9539 High Similarity NPC127406
0.949 High Similarity NPC229729
0.9484 High Similarity NPC259834
0.9484 High Similarity NPC472876
0.9484 High Similarity NPC77660
0.9484 High Similarity NPC189142
0.9481 High Similarity NPC142860
0.9481 High Similarity NPC187379
0.9481 High Similarity NPC136761
0.9481 High Similarity NPC97285
0.9481 High Similarity NPC304741
0.9481 High Similarity NPC246469
0.9481 High Similarity NPC473623
0.9481 High Similarity NPC471079
0.9481 High Similarity NPC271270
0.9481 High Similarity NPC470405
0.9481 High Similarity NPC153342
0.9477 High Similarity NPC6985
0.9474 High Similarity NPC470604
0.9474 High Similarity NPC470605
0.9474 High Similarity NPC470603
0.9467 High Similarity NPC191154
0.9423 High Similarity NPC191306
0.9423 High Similarity NPC88023
0.9423 High Similarity NPC270335
0.9423 High Similarity NPC309025
0.9423 High Similarity NPC29830
0.9423 High Similarity NPC80068
0.9423 High Similarity NPC243930
0.9423 High Similarity NPC19709
0.9419 High Similarity NPC473438
0.9419 High Similarity NPC470125
0.9419 High Similarity NPC265885
0.9419 High Similarity NPC224530
0.9419 High Similarity NPC135846
0.9419 High Similarity NPC215710
0.9419 High Similarity NPC159579
0.9419 High Similarity NPC64305
0.9419 High Similarity NPC249281
0.9419 High Similarity NPC181465
0.9419 High Similarity NPC170052
0.9419 High Similarity NPC246943
0.9419 High Similarity NPC173582
0.9419 High Similarity NPC276377
0.9419 High Similarity NPC139320
0.9419 High Similarity NPC297987
0.9419 High Similarity NPC282169
0.9419 High Similarity NPC476215
0.9419 High Similarity NPC216496
0.9419 High Similarity NPC116458
0.9419 High Similarity NPC101636
0.9419 High Similarity NPC253788
0.9419 High Similarity NPC85707
0.9419 High Similarity NPC259957
0.9419 High Similarity NPC48093
0.9419 High Similarity NPC163242
0.9419 High Similarity NPC129217
0.9412 High Similarity NPC295613
0.9412 High Similarity NPC473657
0.9408 High Similarity NPC268950
0.9408 High Similarity NPC108706
0.9408 High Similarity NPC211158
0.9408 High Similarity NPC78021
0.9408 High Similarity NPC87304
0.9404 High Similarity NPC471289
0.9404 High Similarity NPC289774
0.9404 High Similarity NPC190217
0.9404 High Similarity NPC134819
0.9404 High Similarity NPC470771
0.9404 High Similarity NPC477897
0.9404 High Similarity NPC209846
0.9404 High Similarity NPC328740
0.9371 High Similarity NPC105511
0.9371 High Similarity NPC76047
0.9371 High Similarity NPC51326
0.9371 High Similarity NPC231194
0.9367 High Similarity NPC45400
0.9363 High Similarity NPC19240
0.9363 High Similarity NPC85751
0.9363 High Similarity NPC311830
0.9363 High Similarity NPC139060
0.9363 High Similarity NPC165720
0.9363 High Similarity NPC205824
0.9363 High Similarity NPC277205
0.9363 High Similarity NPC22832
0.9363 High Similarity NPC129264
0.9359 High Similarity NPC475382
0.9359 High Similarity NPC27942
0.9359 High Similarity NPC150164
0.9359 High Similarity NPC240306
0.9359 High Similarity NPC190450
0.9359 High Similarity NPC127782
0.9359 High Similarity NPC298171
0.9359 High Similarity NPC473043
0.9359 High Similarity NPC300537
0.9351 High Similarity NPC470606
0.9351 High Similarity NPC288084
0.9342 High Similarity NPC10807
0.9342 High Similarity NPC244583
0.9342 High Similarity NPC161881
0.9342 High Similarity NPC56232
0.9342 High Similarity NPC150123
0.9338 High Similarity NPC177308
0.9338 High Similarity NPC106025
0.9338 High Similarity NPC477240
0.9338 High Similarity NPC124478
0.9338 High Similarity NPC213723
0.9338 High Similarity NPC214454
0.9333 High Similarity NPC199335
0.9313 High Similarity NPC48773
0.9313 High Similarity NPC307518
0.9313 High Similarity NPC235575
0.9313 High Similarity NPC205076
0.9308 High Similarity NPC222455
0.9308 High Similarity NPC5319
0.9308 High Similarity NPC229687
0.9304 High Similarity NPC118284
0.9304 High Similarity NPC253662
0.9304 High Similarity NPC145038
0.9304 High Similarity NPC70441
0.9304 High Similarity NPC274618
0.9304 High Similarity NPC56077
0.9304 High Similarity NPC260504

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC161749 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
1.0 High Similarity NPD4381 Clinical (unspecified phase)
0.9338 High Similarity NPD4380 Phase 2
0.9308 High Similarity NPD7804 Clinical (unspecified phase)
0.9245 High Similarity NPD3818 Discontinued
0.9187 High Similarity NPD7054 Approved
0.913 High Similarity NPD7074 Phase 3
0.913 High Similarity NPD7472 Approved
0.9074 High Similarity NPD6797 Phase 2
0.9018 High Similarity NPD7251 Discontinued
0.8963 High Similarity NPD4338 Clinical (unspecified phase)
0.8963 High Similarity NPD7808 Phase 3
0.8861 High Similarity NPD7075 Discontinued
0.8859 High Similarity NPD1549 Phase 2
0.8792 High Similarity NPD1550 Clinical (unspecified phase)
0.8792 High Similarity NPD1552 Clinical (unspecified phase)
0.8788 High Similarity NPD6559 Discontinued
0.8726 High Similarity NPD6801 Discontinued
0.8726 High Similarity NPD1934 Approved
0.8671 High Similarity NPD7096 Clinical (unspecified phase)
0.8671 High Similarity NPD2393 Clinical (unspecified phase)
0.8658 High Similarity NPD1510 Phase 2
0.865 High Similarity NPD6168 Clinical (unspecified phase)
0.865 High Similarity NPD6167 Clinical (unspecified phase)
0.865 High Similarity NPD6166 Phase 2
0.8645 High Similarity NPD5403 Approved
0.8636 High Similarity NPD4378 Clinical (unspecified phase)
0.86 High Similarity NPD2796 Approved
0.8562 High Similarity NPD4868 Clinical (unspecified phase)
0.8544 High Similarity NPD7411 Suspended
0.8516 High Similarity NPD5401 Approved
0.8516 High Similarity NPD7410 Clinical (unspecified phase)
0.85 High Similarity NPD5402 Approved
0.85 High Similarity NPD8443 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD1511 Approved
0.8452 Intermediate Similarity NPD6799 Approved
0.8438 Intermediate Similarity NPD2801 Approved
0.8385 Intermediate Similarity NPD3817 Phase 2
0.8344 Intermediate Similarity NPD1512 Approved
0.8323 Intermediate Similarity NPD7819 Suspended
0.8267 Intermediate Similarity NPD1240 Approved
0.8258 Intermediate Similarity NPD3750 Approved
0.825 Intermediate Similarity NPD6599 Discontinued
0.8221 Intermediate Similarity NPD3882 Suspended
0.8204 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8158 Intermediate Similarity NPD1607 Approved
0.8142 Intermediate Similarity NPD7584 Approved
0.8141 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD8312 Approved
0.814 Intermediate Similarity NPD8313 Approved
0.8133 Intermediate Similarity NPD6959 Discontinued
0.8125 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD5494 Approved
0.8061 Intermediate Similarity NPD3749 Approved
0.8025 Intermediate Similarity NPD4628 Phase 3
0.8012 Intermediate Similarity NPD1653 Approved
0.8 Intermediate Similarity NPD7768 Phase 2
0.8 Intermediate Similarity NPD3751 Discontinued
0.8 Intermediate Similarity NPD1551 Phase 2
0.7988 Intermediate Similarity NPD8455 Phase 2
0.7953 Intermediate Similarity NPD5844 Phase 1
0.7935 Intermediate Similarity NPD3748 Approved
0.7879 Intermediate Similarity NPD1465 Phase 2
0.787 Intermediate Similarity NPD3787 Discontinued
0.7848 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD6780 Approved
0.7814 Intermediate Similarity NPD6776 Approved
0.7814 Intermediate Similarity NPD6777 Approved
0.7814 Intermediate Similarity NPD6781 Approved
0.7814 Intermediate Similarity NPD6779 Approved
0.7814 Intermediate Similarity NPD6778 Approved
0.7814 Intermediate Similarity NPD6782 Approved
0.7785 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD6232 Discontinued
0.7747 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7473 Discontinued
0.773 Intermediate Similarity NPD920 Approved
0.7716 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD7685 Pre-registration
0.7713 Intermediate Similarity NPD7585 Approved
0.7706 Intermediate Similarity NPD7199 Phase 2
0.7702 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD7435 Discontinued
0.7677 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD1613 Approved
0.7672 Intermediate Similarity NPD8151 Discontinued
0.7662 Intermediate Similarity NPD2313 Discontinued
0.766 Intermediate Similarity NPD7583 Approved
0.7658 Intermediate Similarity NPD2935 Discontinued
0.7657 Intermediate Similarity NPD5953 Discontinued
0.7651 Intermediate Similarity NPD1091 Approved
0.7651 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD7458 Discontinued
0.7632 Intermediate Similarity NPD2798 Approved
0.7628 Intermediate Similarity NPD1933 Approved
0.7625 Intermediate Similarity NPD2800 Approved
0.7625 Intermediate Similarity NPD1243 Approved
0.7595 Intermediate Similarity NPD7033 Discontinued
0.7594 Intermediate Similarity NPD7696 Phase 3
0.7594 Intermediate Similarity NPD7697 Approved
0.7594 Intermediate Similarity NPD7698 Approved
0.7586 Intermediate Similarity NPD7228 Approved
0.7571 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD1203 Approved
0.7564 Intermediate Similarity NPD943 Approved
0.7553 Intermediate Similarity NPD7871 Phase 2
0.7553 Intermediate Similarity NPD7870 Phase 2
0.7543 Intermediate Similarity NPD7286 Phase 2
0.7541 Intermediate Similarity NPD6535 Approved
0.7541 Intermediate Similarity NPD4360 Phase 2
0.7541 Intermediate Similarity NPD4363 Phase 3
0.7541 Intermediate Similarity NPD6534 Approved
0.754 Intermediate Similarity NPD6823 Phase 2
0.7532 Intermediate Similarity NPD4908 Phase 1
0.7532 Intermediate Similarity NPD6832 Phase 2
0.7526 Intermediate Similarity NPD7701 Phase 2
0.7514 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2534 Approved
0.75 Intermediate Similarity NPD2344 Approved
0.75 Intermediate Similarity NPD2532 Approved
0.75 Intermediate Similarity NPD7266 Discontinued
0.75 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7783 Phase 2
0.75 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2533 Approved
0.7485 Intermediate Similarity NPD919 Approved
0.7485 Intermediate Similarity NPD6234 Discontinued
0.7484 Intermediate Similarity NPD2799 Discontinued
0.7471 Intermediate Similarity NPD4965 Approved
0.7471 Intermediate Similarity NPD4967 Phase 2
0.7471 Intermediate Similarity NPD4966 Approved
0.7468 Intermediate Similarity NPD6651 Approved
0.7448 Intermediate Similarity NPD7874 Approved
0.7448 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD3226 Approved
0.7419 Intermediate Similarity NPD7699 Phase 2
0.7419 Intermediate Similarity NPD7700 Phase 2
0.7419 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD1610 Phase 2
0.7414 Intermediate Similarity NPD3926 Phase 2
0.7409 Intermediate Similarity NPD7801 Approved
0.7407 Intermediate Similarity NPD1652 Phase 2
0.7405 Intermediate Similarity NPD5124 Phase 1
0.7405 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD1247 Approved
0.7383 Intermediate Similarity NPD1548 Phase 1
0.7371 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6099 Approved
0.7329 Intermediate Similarity NPD6100 Approved
0.7325 Intermediate Similarity NPD6798 Discontinued
0.7325 Intermediate Similarity NPD3268 Approved
0.7321 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD2309 Approved
0.7317 Intermediate Similarity NPD6190 Approved
0.731 Intermediate Similarity NPD4288 Approved
0.7308 Intermediate Similarity NPD8434 Phase 2
0.7297 Intermediate Similarity NPD6213 Phase 3
0.7297 Intermediate Similarity NPD6212 Phase 3
0.7297 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD230 Phase 1
0.7294 Intermediate Similarity NPD6844 Discontinued
0.7284 Intermediate Similarity NPD2346 Discontinued
0.7277 Intermediate Similarity NPD8320 Phase 1
0.7277 Intermediate Similarity NPD8319 Approved
0.7273 Intermediate Similarity NPD3225 Approved
0.7267 Intermediate Similarity NPD4308 Phase 3
0.7261 Intermediate Similarity NPD3027 Phase 3
0.7256 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD9717 Approved
0.7235 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7390 Discontinued
0.7226 Intermediate Similarity NPD2797 Approved
0.7222 Intermediate Similarity NPD7240 Approved
0.7213 Intermediate Similarity NPD8150 Discontinued
0.719 Intermediate Similarity NPD422 Phase 1
0.7188 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD447 Suspended
0.7188 Intermediate Similarity NPD6355 Discontinued
0.7186 Intermediate Similarity NPD4661 Approved
0.7186 Intermediate Similarity NPD4662 Approved
0.717 Intermediate Similarity NPD6233 Phase 2
0.716 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD4287 Approved
0.7134 Intermediate Similarity NPD2424 Discontinued
0.7128 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD4361 Phase 2
0.7099 Intermediate Similarity NPD7097 Phase 1
0.7079 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD3823 Discontinued
0.7062 Intermediate Similarity NPD5710 Approved
0.7062 Intermediate Similarity NPD5711 Approved

Structure

External Identifiers

PubChem CID   107971
ChEMBL   CHEMBL486422
ZINC  

Physicochemical Properties

Molecular Weight:  416.11
ALogP:  -3.3342
MLogP:  2.78
XLogP:  1.367
# Rotatable Bonds:  9
Polar Surface Area:  145.91
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  30

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