Natural Product: NPC193544

Natural Product ID:  NPC193544
Common Name:   Moscatilin
IUPAC Name:   4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol
Synonyms:   Aloifol II; Moscatilin
Molecular Formula:   C17H20O5
Standard InCHIKey:  YTRAYUIKLRABOQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3
Canonical SMILES:  COc1cc(CCc2cc(OC)c(c(c2)OC)O)ccc1O
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
NPO3894 Dendrobium nobile Species Orchidaceae Eukaryota stems Yunnan Province, China 2004 PMID[17253844]
NPO15662 Ligustrum ovalifolium Species Oleaceae Eukaryota UNPD*
NPO3894 Dendrobium nobile Species Orchidaceae Eukaryota UNPD*
NPO5052 Physocarpus intermedius Species Rosaceae Eukaryota UNPD*
NPO2128 Lebeckia plukenetiana Species Fabaceae Eukaryota UNPD*
NPO326 Pittosporum brevicalyx Species Pittosporaceae Eukaryota UNPD*
NPO13053 Corydalis conspersa Species Papaveraceae Eukaryota UNPD*
NPO8084 Axinyssa tethyoides Species Halichondriidae Eukaryota UNPD*
NPO6178 Solanum euacanthum Species Solanaceae Eukaryota UNPD*
NPO26581 Cyperus pilosus Species Cyperaceae Eukaryota UNPD*
NPO4581 Ungernia victoris Species Amaryllidaceae Eukaryota UNPD*
NPO3906 Securigera securidaca Species Fabaceae Eukaryota UNPD*
NPO15280 Sideritis grandiflora Species Lamiaceae Eukaryota UNPD*
NPO1575 Mikania luetzelburgii Species Asteraceae Eukaryota UNPD*
NPO8966 Callophycus serratus Species Solieriaceae Eukaryota UNPD*
NPO2188 Dendrobium candidum Species Orchidaceae Eukaryota TM-MC*
NPO11889 Dendrobium chrysanthum Species Orchidaceae Eukaryota TM-MC*
NPO20900 Dendrobium chrysotoxum Species Orchidaceae Eukaryota TM-MC*
NPO23332 Dendrobium fimbriatum Species Orchidaceae Eukaryota TM-MC*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota TM-MC*
NPO3894 Dendrobium nobile Species Orchidaceae Eukaryota TM-MC*
NPO17748 Dendrobium catenatum Species Orchidaceae Eukaryota TM-MC*
NPO29285 Dendrobium densiflorum Species Orchidaceae Eukaryota TCMID*
NPO11242 Gynochthodes parvifolia Species Rubiaceae Eukaryota UNPD*
NPO5019 Mespilus germanica Species Rosaceae Eukaryota UNPD*
NPO15918 Nidema boothii Species Orchidaceae Eukaryota Whole Plants PMID[14987052]
NPO23332 Dendrobium fimbriatum Species Orchidaceae Eukaryota Stems PMID[25316316]
NPO29285 Dendrobium densiflorum Species Orchidaceae Eukaryota HerDing*
NPO3894 Dendrobium nobile Species Orchidaceae Eukaryota TCM_Taiwan*
NPO7189 Saraca asoca Species Fabaceae Eukaryota UNPD*
NPO3197 Polyporus confluens Species Polyporaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity IC50 = 14500 nM 17253844
NPT2735 Cell Line RAW Mus musculus IC50 = 36800 nM 17253844
NPT548 Tissue Ileum Cavia porcellus Ratio IC50 = 7.65 14987052
NPT548 Tissue Ileum Cavia porcellus IC50 = 560 nM 14987052
NPT2 Others Unspecified IC50 = 61800 nM 7798962
NPT2 Others Unspecified Activity = 0 % 7798962
NPT2 Others Unspecified Activity = 85.3 % 7798962
NPT2 Others Unspecified Activity = 24.7 % 7798962
NPT2 Others Unspecified Activity = 72.1 % 7798962
NPT2 Others Unspecified Activity = 36.4 % 7798962
NPT2 Others Unspecified Activity = 19.6 % 7798962
NPT2 Others Unspecified Activity = 52 % 7798962
NPT2 Others Unspecified Activity = 42.3 % 7798962
NPT2 Others Unspecified Activity = 78.7 % 7798962
NPT2 Others Unspecified Activity = 58.4 % 7798962
NPT2 Others Unspecified Activity = 78.5 % 7798962
NPT2 Others Unspecified Activity = 7.8 % 10514302
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 27600 nM 20483604
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 4070 nM 25316316
NPT2 Others Unspecified IC50 = 2180 nM 25316316
NPT81 Cell Line A549 Homo sapiens IC50 = 5730 nM 25316316
NPT83 Cell Line MCF7 Homo sapiens IC50 = 6200 nM 25316316
NPT660 Cell Line SW480 Homo sapiens IC50 = 6880 nM 25316316

  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 NPC193544 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 NPC208950
1.0 High Similarity NPC298757
1.0 High Similarity NPC221077
1.0 High Similarity NPC233410
1.0 High Similarity NPC117214
1.0 High Similarity NPC251855
1.0 High Similarity NPC475169
1.0 High Similarity NPC17943
1.0 High Similarity NPC472093
1.0 High Similarity NPC203133
1.0 High Similarity NPC116907
1.0 High Similarity NPC57490
0.9833 High Similarity NPC169474
0.9833 High Similarity NPC159968
0.9833 High Similarity NPC74817
0.9833 High Similarity NPC124452
0.9833 High Similarity NPC236791
0.9833 High Similarity NPC246620
0.9833 High Similarity NPC293054
0.9833 High Similarity NPC282000
0.9833 High Similarity NPC127587
0.9833 High Similarity NPC82679
0.9833 High Similarity NPC324112
0.9831 High Similarity NPC233526
0.9831 High Similarity NPC197757
0.9831 High Similarity NPC282496
0.9831 High Similarity NPC228922
0.9831 High Similarity NPC136319
0.9752 High Similarity NPC186843
0.9752 High Similarity NPC470213
0.9752 High Similarity NPC98631
0.9752 High Similarity NPC206615
0.975 High Similarity NPC18924
0.975 High Similarity NPC78974
0.975 High Similarity NPC214406
0.975 High Similarity NPC103823
0.975 High Similarity NPC28730
0.975 High Similarity NPC44748
0.975 High Similarity NPC76451
0.975 High Similarity NPC223136
0.9746 High Similarity NPC71579
0.9746 High Similarity NPC262253
0.9746 High Similarity NPC473411
0.9746 High Similarity NPC41562
0.9672 High Similarity NPC476968
0.9672 High Similarity NPC170844
0.9669 High Similarity NPC210355
0.9667 High Similarity NPC265483
0.9667 High Similarity NPC82483
0.9667 High Similarity NPC234400
0.9667 High Similarity NPC105925
0.9667 High Similarity NPC299584
0.9667 High Similarity NPC60885
0.9593 High Similarity NPC234488
0.9593 High Similarity NPC311680
0.9593 High Similarity NPC299221
0.9593 High Similarity NPC126836
0.9593 High Similarity NPC51840
0.959 High Similarity NPC28765
0.959 High Similarity NPC154866
0.9583 High Similarity NPC206487
0.9583 High Similarity NPC5796
0.9576 High Similarity NPC166759
0.9516 High Similarity NPC474017
0.9512 High Similarity NPC212015
0.9512 High Similarity NPC58164
0.9512 High Similarity NPC10225
0.9508 High Similarity NPC252131
0.9508 High Similarity NPC266555
0.9508 High Similarity NPC470699
0.9508 High Similarity NPC236760
0.95 High Similarity NPC95168
0.95 High Similarity NPC84086
0.95 High Similarity NPC121115
0.9492 High Similarity NPC474565
0.9492 High Similarity NPC232084
0.9492 High Similarity NPC247364
0.9492 High Similarity NPC61516
0.9492 High Similarity NPC10932
0.944 High Similarity NPC201587
0.944 High Similarity NPC6451
0.944 High Similarity NPC253105
0.9435 High Similarity NPC472338
0.9431 High Similarity NPC266691
0.9426 High Similarity NPC223953
0.9426 High Similarity NPC181361
0.9421 High Similarity NPC122792
0.9421 High Similarity NPC228972
0.9407 High Similarity NPC20674
0.9407 High Similarity NPC475961
0.9407 High Similarity NPC254625
0.9407 High Similarity NPC226629
0.9365 High Similarity NPC475840
0.9365 High Similarity NPC158331
0.9365 High Similarity NPC32778
0.936 High Similarity NPC470096
0.936 High Similarity NPC12275
0.936 High Similarity NPC232275
0.936 High Similarity NPC472597
0.936 High Similarity NPC474356
0.936 High Similarity NPC470095
0.936 High Similarity NPC45715
0.9339 High Similarity NPC471693
0.9333 High Similarity NPC49341
0.9333 High Similarity NPC75713
0.9322 High Similarity NPC470626
0.9291 High Similarity NPC317380
0.9291 High Similarity NPC287745
0.9286 High Similarity NPC160991
0.9286 High Similarity NPC175067
0.9286 High Similarity NPC16208
0.9286 High Similarity NPC202762
0.9286 High Similarity NPC184447
0.9286 High Similarity NPC7903
0.9286 High Similarity NPC204215
0.9286 High Similarity NPC14224
0.9286 High Similarity NPC127624
0.9286 High Similarity NPC35932
0.9286 High Similarity NPC86655
0.9286 High Similarity NPC161958
0.9286 High Similarity NPC470752
0.928 High Similarity NPC192687
0.928 High Similarity NPC224157
0.928 High Similarity NPC63574
0.9237 High Similarity NPC474933
0.9237 High Similarity NPC259638
0.9237 High Similarity NPC293619
0.9219 High Similarity NPC10314
0.9219 High Similarity NPC99572
0.9219 High Similarity NPC474206
0.9219 High Similarity NPC158142
0.9219 High Similarity NPC94750
0.9219 High Similarity NPC200557
0.9219 High Similarity NPC69029
0.9219 High Similarity NPC121812
0.9219 High Similarity NPC313081
0.9219 High Similarity NPC108198
0.9219 High Similarity NPC112246
0.9219 High Similarity NPC126409
0.9219 High Similarity NPC256262
0.9219 High Similarity NPC294884
0.9219 High Similarity NPC112939
0.9219 High Similarity NPC470356
0.9213 High Similarity NPC229442
0.9213 High Similarity NPC471390
0.9213 High Similarity NPC168059
0.9213 High Similarity NPC471391
0.9206 High Similarity NPC15543
0.9206 High Similarity NPC309787
0.92 High Similarity NPC226788
0.92 High Similarity NPC470633
0.92 High Similarity NPC202582
0.92 High Similarity NPC218856
0.92 High Similarity NPC210623
0.92 High Similarity NPC3439
0.92 High Similarity NPC190629
0.92 High Similarity NPC469963
0.92 High Similarity NPC228769
0.92 High Similarity NPC469951
0.92 High Similarity NPC190144
0.92 High Similarity NPC285339
0.92 High Similarity NPC470258
0.92 High Similarity NPC273295
0.92 High Similarity NPC222004
0.9194 High Similarity NPC5428
0.9194 High Similarity NPC165045
0.9194 High Similarity NPC474119
0.9194 High Similarity NPC118533
0.9194 High Similarity NPC242032
0.9187 High Similarity NPC148627
0.918 High Similarity NPC220598
0.918 High Similarity NPC165375
0.9174 High Similarity NPC477886
0.9174 High Similarity NPC312675
0.9174 High Similarity NPC184651
0.9174 High Similarity NPC324571
0.9174 High Similarity NPC54872
0.9174 High Similarity NPC145780
0.9174 High Similarity NPC470212
0.9174 High Similarity NPC473853
0.9174 High Similarity NPC262156
0.9174 High Similarity NPC113865
0.9174 High Similarity NPC343720
0.9167 High Similarity NPC232316
0.9167 High Similarity NPC165133
0.9167 High Similarity NPC117780
0.9167 High Similarity NPC242885
0.9167 High Similarity NPC229401
0.9167 High Similarity NPC56214
0.9167 High Similarity NPC227217
0.9167 High Similarity NPC95614
0.9153 High Similarity NPC141090
0.9153 High Similarity NPC193067
0.9153 High Similarity NPC123948
0.9147 High Similarity NPC202846
0.9147 High Similarity NPC16435
0.9147 High Similarity NPC248727
0.9147 High Similarity NPC265433
0.9147 High Similarity NPC143139
0.9147 High Similarity NPC227503

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC193544 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
0.9672 High Similarity NPD3027 Phase 3
0.8968 High Similarity NPD1529 Clinical (unspecified phase)
0.8889 High Similarity NPD1530 Clinical (unspecified phase)
0.8837 High Similarity NPD1613 Approved
0.8837 High Similarity NPD1612 Clinical (unspecified phase)
0.8729 High Similarity NPD228 Approved
0.872 High Similarity NPD2982 Phase 2
0.872 High Similarity NPD2983 Phase 2
0.864 High Similarity NPD2981 Phase 2
0.8594 High Similarity NPD3018 Phase 2
0.8583 High Similarity NPD5283 Phase 1
0.8425 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD3021 Approved
0.825 Intermediate Similarity NPD3022 Approved
0.8244 Intermediate Similarity NPD4908 Phase 1
0.8125 Intermediate Similarity NPD1610 Phase 2
0.812 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD1548 Phase 1
0.8014 Intermediate Similarity NPD1934 Approved
0.8 Intermediate Similarity NPD1558 Phase 1
0.7959 Intermediate Similarity NPD2801 Approved
0.7914 Intermediate Similarity NPD3540 Phase 1
0.791 Intermediate Similarity NPD4625 Phase 3
0.7881 Intermediate Similarity NPD1242 Phase 1
0.7874 Intermediate Similarity NPD5536 Phase 2
0.7868 Intermediate Similarity NPD3620 Phase 2
0.7868 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD4749 Approved
0.7852 Intermediate Similarity NPD3882 Suspended
0.7842 Intermediate Similarity NPD3539 Phase 1
0.7838 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD4357 Discontinued
0.7817 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD7124 Phase 2
0.7748 Intermediate Similarity NPD6234 Discontinued
0.7727 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD2684 Approved
0.771 Intermediate Similarity NPD3705 Approved
0.7708 Intermediate Similarity NPD1511 Approved
0.7687 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD4005 Discontinued
0.7676 Intermediate Similarity NPD3060 Approved
0.7667 Intermediate Similarity NPD846 Approved
0.7667 Intermediate Similarity NPD940 Approved
0.7664 Intermediate Similarity NPD2674 Phase 3
0.7651 Intermediate Similarity NPD37 Approved
0.7635 Intermediate Similarity NPD4675 Approved
0.7635 Intermediate Similarity NPD4678 Approved
0.763 Intermediate Similarity NPD2861 Phase 2
0.7619 Intermediate Similarity NPD1653 Approved
0.7619 Intermediate Similarity NPD7843 Approved
0.7616 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD1357 Approved
0.7613 Intermediate Similarity NPD6166 Phase 2
0.7613 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD4060 Phase 1
0.7603 Intermediate Similarity NPD1512 Approved
0.7591 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD7157 Approved
0.7576 Intermediate Similarity NPD422 Phase 1
0.7571 Intermediate Similarity NPD6111 Discontinued
0.7569 Intermediate Similarity NPD2219 Phase 1
0.7551 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD2860 Approved
0.7542 Intermediate Similarity NPD2859 Approved
0.7535 Intermediate Similarity NPD7266 Discontinued
0.752 Intermediate Similarity NPD4750 Phase 3
0.75 Intermediate Similarity NPD3020 Approved
0.75 Intermediate Similarity NPD4967 Phase 2
0.75 Intermediate Similarity NPD4966 Approved
0.75 Intermediate Similarity NPD4965 Approved
0.7484 Intermediate Similarity NPD6232 Discontinued
0.7482 Intermediate Similarity NPD1240 Approved
0.7464 Intermediate Similarity NPD5109 Approved
0.7464 Intermediate Similarity NPD5110 Phase 2
0.7464 Intermediate Similarity NPD3144 Approved
0.7464 Intermediate Similarity NPD5111 Phase 2
0.7464 Intermediate Similarity NPD3145 Approved
0.7458 Intermediate Similarity NPD2934 Approved
0.7458 Intermediate Similarity NPD2933 Approved
0.7458 Intermediate Similarity NPD9296 Approved
0.7451 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6671 Approved
0.7434 Intermediate Similarity NPD3817 Phase 2
0.7431 Intermediate Similarity NPD4236 Phase 3
0.7431 Intermediate Similarity NPD4237 Approved
0.7429 Intermediate Similarity NPD230 Phase 1
0.7426 Intermediate Similarity NPD6584 Phase 3
0.7421 Intermediate Similarity NPD7074 Phase 3
0.7419 Intermediate Similarity NPD7199 Phase 2
0.7405 Intermediate Similarity NPD3818 Discontinued
0.7405 Intermediate Similarity NPD7228 Approved
0.7394 Intermediate Similarity NPD1510 Phase 2
0.7391 Intermediate Similarity NPD7095 Approved
0.7381 Intermediate Similarity NPD5451 Approved
0.7376 Intermediate Similarity NPD1607 Approved
0.7372 Intermediate Similarity NPD9494 Approved
0.7358 Intermediate Similarity NPD7054 Approved
0.7357 Intermediate Similarity NPD943 Approved
0.7342 Intermediate Similarity NPD7473 Discontinued
0.7338 Intermediate Similarity NPD4055 Discovery
0.7333 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD4536 Approved
0.7324 Intermediate Similarity NPD4538 Approved
0.732 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7319 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD1091 Approved
0.7312 Intermediate Similarity NPD7472 Approved
0.731 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD5177 Phase 3
0.7297 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD4123 Phase 3
0.7297 Intermediate Similarity NPD7447 Phase 1
0.7293 Intermediate Similarity NPD6516 Phase 2
0.7293 Intermediate Similarity NPD5846 Approved
0.7292 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD4380 Phase 2
0.728 Intermediate Similarity NPD968 Approved
0.7279 Intermediate Similarity NPD8651 Approved
0.7279 Intermediate Similarity NPD2922 Phase 1
0.7255 Intermediate Similarity NPD1465 Phase 2
0.7255 Intermediate Similarity NPD2978 Approved
0.7255 Intermediate Similarity NPD2977 Approved
0.7248 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD3847 Discontinued
0.7234 Intermediate Similarity NPD2238 Phase 2
0.723 Intermediate Similarity NPD7213 Phase 3
0.723 Intermediate Similarity NPD7212 Phase 2
0.7222 Intermediate Similarity NPD2935 Discontinued
0.7222 Intermediate Similarity NPD6100 Approved
0.7222 Intermediate Similarity NPD6099 Approved
0.7222 Intermediate Similarity NPD290 Approved
0.7219 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD5718 Phase 2
0.7211 Intermediate Similarity NPD6190 Approved
0.7209 Intermediate Similarity NPD5535 Approved
0.7206 Intermediate Similarity NPD6582 Phase 2
0.7206 Intermediate Similarity NPD6583 Phase 3
0.7203 Intermediate Similarity NPD6895 Approved
0.7203 Intermediate Similarity NPD6896 Approved
0.7195 Intermediate Similarity NPD8053 Approved
0.7195 Intermediate Similarity NPD8054 Approved
0.7192 Intermediate Similarity NPD4162 Approved
0.7192 Intermediate Similarity NPD6674 Discontinued
0.7172 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1375 Discontinued
0.7172 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4626 Approved
0.7164 Intermediate Similarity NPD2668 Approved
0.7164 Intermediate Similarity NPD2667 Approved
0.716 Intermediate Similarity NPD6797 Phase 2
0.7153 Intermediate Similarity NPD5960 Phase 3
0.7153 Intermediate Similarity NPD5588 Approved
0.7143 Intermediate Similarity NPD4110 Phase 3
0.7143 Intermediate Similarity NPD3892 Phase 2
0.7143 Intermediate Similarity NPD3750 Approved
0.7143 Intermediate Similarity NPD5844 Phase 1
0.7143 Intermediate Similarity NPD6331 Phase 2
0.7143 Intermediate Similarity NPD4628 Phase 3
0.7143 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD2230 Approved
0.7132 Intermediate Similarity NPD1608 Approved
0.7132 Intermediate Similarity NPD2232 Approved
0.7132 Intermediate Similarity NPD2233 Approved
0.7124 Intermediate Similarity NPD5090 Approved
0.7124 Intermediate Similarity NPD5089 Approved
0.7123 Intermediate Similarity NPD1549 Phase 2
0.7123 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7251 Discontinued
0.7115 Intermediate Similarity NPD7075 Discontinued
0.7114 Intermediate Similarity NPD6799 Approved
0.7114 Intermediate Similarity NPD5297 Approved
0.7097 Intermediate Similarity NPD291 Approved
0.7095 Intermediate Similarity NPD5241 Discontinued
0.7092 Intermediate Similarity NPD6798 Discontinued
0.7091 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD1651 Approved
0.708 Intermediate Similarity NPD1669 Approved
0.7075 Intermediate Similarity NPD1652 Phase 2
0.7073 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD7808 Phase 3
0.7063 Intermediate Similarity NPD4340 Discontinued
0.7063 Intermediate Similarity NPD6355 Discontinued
0.7063 Intermediate Similarity NPD3657 Discovery
0.7063 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5735 Approved
0.7063 Intermediate Similarity NPD5124 Phase 1
0.7055 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6788 Approved
0.705 Intermediate Similarity NPD4624 Approved
0.7047 Intermediate Similarity NPD5058 Phase 3
0.7042 Intermediate Similarity NPD6233 Phase 2
0.7042 Intermediate Similarity NPD1726 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   176096
ChEMBL   CHEMBL374047
ZINC  

Physicochemical Properties

Molecular Weight:  304.13
ALogP:  -0.9512
MLogP:  2.78
XLogP:  2.64
# Rotatable Bonds:  11
Polar Surface Area:  68.15
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  22

Download Data

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Biological Activities  
Similar NPs/Drugs