Natural Product: NPC170239

Natural Product ID:  NPC170239
Common Name:   Sid488068
IUPAC Name:   [2-acetyloxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate
Synonyms:  
Molecular Formula:   C22H18O9
Standard InCHIKey:  ZJYMCBIUBPWIGC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H18O9/c1-10(23)30-21-17(12-3-6-14(25)7-4-12)19(28)20(29)18(22(21)31-11(2)24)13-5-8-15(26)16(27)9-13/h3-9,25-29H,1-2H3
Canonical SMILES:  Oc1ccc(cc1)c1c(O)c(O)c(c(c1OC(=O)C)OC(=O)C)c1ccc(c(c1)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
NPO26394 Sarcodon leucopus Species Thelephoraceae Eukaryota Tibet, China PMID[24645629]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT576 Cell Line DMS-114 Homo sapiens GI50 21330.45 nM 22652254
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM 19459694
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM 10.1016/j.cropro.2009.06.012
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM 22472691
NPT1 Others Radical scavenging activity IC50 = 11000 nM 1732516
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM 17962024
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM 10514301
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 46238.1 nM 20350944
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM 22516426
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM DrugMatrix in vivo data: Pathology
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 19724.23 nM 10411485
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM 24224794
NPT574 Cell Line XF498 Homo sapiens GI50 82224.26 nM 23376010
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM 16441070
NPT738 Cell Line SN12K1 Homo sapiens GI50 100000 nM 12127522
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM 10.6019/CHEMBL1201861
NPT323 Cell Line SW-620 Homo sapiens GI50 42657.95 nM 15217281
NPT2 Others Unspecified Activity = 192 U 15921425
NPT372 Cell Line HOP-92 Homo sapiens GI50 30199.52 nM 21377877
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM 10.6019/CHEMBL1201861
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM 24467317
NPT552 Cell Line P388/ADR Mus musculus GI50 20701.41 nM 19064900
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 29444.22 nM 19651910
NPT2 Others Unspecified IC50 = 3350 nM DrugMatrix in vivo data: Pathology
NPT455 Cell Line NCI-H522 Homo sapiens GI50 17741.89 nM 16417306
NPT2 Others Unspecified EC50 = 31000 nM 24582402
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 100000 nM 18513974
NPT111 Cell Line K562 Homo sapiens GI50 50699.07 nM 19685913
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM Open TG-GATES in vivo data: Biochemistry
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM 24527835
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM 18077363
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM 26034885
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM 23398362
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM 15844945
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM 2746258
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM 24571273
NPT398 Cell Line UACC-62 Homo sapiens GI50 27415.74 nM 21265542
NPT390 Cell Line LOX IMVI Homo sapiens GI50 29922.65 nM 22390538
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM 19555124
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM 24273638
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM 3236014
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM 7473599
NPT392 Cell Line SNB-75 Homo sapiens GI50 97498.96 nM 19114677
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM DrugMatrix in vivo data: Pathology
NPT116 Cell Line HL-60 Homo sapiens GI50 54200.09 nM 21843935
NPT625 Tissue Liver Mus musculus IC50 = 29000 nM 22071302
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM 16643028
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM 18077425
NPT573 Cell Line M19-MEL Homo sapiens GI50 24434.31 nM 18077425
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 60953.69 nM 8133298
NPT458 Cell Line IGROV-1 Homo sapiens GI50 93110.79 nM 24963543
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM 3210015
NPT732 Cell Line HOP-18 Homo sapiens GI50 100000 nM 26356746
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM 23368966
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM 12502331
NPT579 Cell Line DLD-1 Homo sapiens GI50 100000 nM 19721074

  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 NPC170239 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 NPC275125
1.0 High Similarity NPC97937
0.9858 High Similarity NPC113790
0.9856 High Similarity NPC125617
0.9521 High Similarity NPC7178
0.9521 High Similarity NPC62903
0.9456 High Similarity NPC155015
0.9456 High Similarity NPC142479
0.9456 High Similarity NPC292385
0.9456 High Similarity NPC125709
0.932 High Similarity NPC476154
0.9214 High Similarity NPC25111
0.9214 High Similarity NPC272157
0.9214 High Similarity NPC73535
0.9214 High Similarity NPC201145
0.9214 High Similarity NPC90615
0.9214 High Similarity NPC6262
0.92 High Similarity NPC36077
0.9161 High Similarity NPC91492
0.9161 High Similarity NPC34245
0.9161 High Similarity NPC7439
0.9161 High Similarity NPC110067
0.9161 High Similarity NPC256555
0.9143 High Similarity NPC300846
0.9143 High Similarity NPC476639
0.9143 High Similarity NPC114155
0.9139 High Similarity NPC36354
0.9085 High Similarity NPC55121
0.9085 High Similarity NPC73505
0.9085 High Similarity NPC165026
0.9085 High Similarity NPC295719
0.9085 High Similarity NPC34431
0.9085 High Similarity NPC174311
0.9071 High Similarity NPC261873
0.9071 High Similarity NPC111655
0.9071 High Similarity NPC283009
0.9071 High Similarity NPC252095
0.9 High Similarity NPC103967
0.8993 High Similarity NPC163598
0.8993 High Similarity NPC264875
0.8993 High Similarity NPC120774
0.8973 High Similarity NPC475896
0.8958 High Similarity NPC175838
0.8944 High Similarity NPC38874
0.8944 High Similarity NPC48956
0.8944 High Similarity NPC105493
0.8944 High Similarity NPC476171
0.8933 High Similarity NPC78809
0.8929 High Similarity NPC474810
0.8919 High Similarity NPC30688
0.8919 High Similarity NPC176903
0.8904 High Similarity NPC292256
0.8881 High Similarity NPC127218
0.8881 High Similarity NPC212942
0.8881 High Similarity NPC319647
0.8881 High Similarity NPC22517
0.8881 High Similarity NPC245207
0.8881 High Similarity NPC25966
0.8881 High Similarity NPC29868
0.8881 High Similarity NPC79622
0.8865 High Similarity NPC474600
0.8859 High Similarity NPC205727
0.8859 High Similarity NPC21184
0.8859 High Similarity NPC120426
0.8859 High Similarity NPC294522
0.8857 High Similarity NPC218884
0.8844 High Similarity NPC40222
0.8844 High Similarity NPC268515
0.8839 High Similarity NPC192258
0.8839 High Similarity NPC476200
0.8819 High Similarity NPC308768
0.8819 High Similarity NPC20520
0.8819 High Similarity NPC12668
0.8819 High Similarity NPC61783
0.8811 High Similarity NPC326797
0.8811 High Similarity NPC103976
0.8811 High Similarity NPC102904
0.8811 High Similarity NPC107551
0.8811 High Similarity NPC176051
0.8811 High Similarity NPC474282
0.8811 High Similarity NPC276490
0.8811 High Similarity NPC474886
0.8803 High Similarity NPC281521
0.8803 High Similarity NPC255147
0.8803 High Similarity NPC201357
0.8797 High Similarity NPC476279
0.8786 High Similarity NPC142530
0.8786 High Similarity NPC147317
0.8784 High Similarity NPC178129
0.8767 High Similarity NPC477616
0.8767 High Similarity NPC6568
0.8759 High Similarity NPC471389
0.875 High Similarity NPC220344
0.875 High Similarity NPC132804
0.875 High Similarity NPC218131
0.875 High Similarity NPC105847
0.875 High Similarity NPC8712
0.875 High Similarity NPC275061
0.875 High Similarity NPC243759
0.875 High Similarity NPC243996
0.8741 High Similarity NPC162659
0.8741 High Similarity NPC205442
0.8741 High Similarity NPC202846
0.8741 High Similarity NPC472336
0.8741 High Similarity NPC270456
0.8741 High Similarity NPC286843
0.8741 High Similarity NPC248727
0.8741 High Similarity NPC173660
0.8741 High Similarity NPC472334
0.8741 High Similarity NPC265433
0.8741 High Similarity NPC143139
0.8732 High Similarity NPC106215
0.8732 High Similarity NPC256307
0.8732 High Similarity NPC66840
0.8725 High Similarity NPC139839
0.8725 High Similarity NPC175976
0.8725 High Similarity NPC187398
0.8725 High Similarity NPC476348
0.8723 High Similarity NPC6451
0.8723 High Similarity NPC474635
0.8723 High Similarity NPC86655
0.8723 High Similarity NPC127624
0.8723 High Similarity NPC202762
0.8716 High Similarity NPC150714
0.8716 High Similarity NPC112251
0.8716 High Similarity NPC95652
0.8714 High Similarity NPC311680
0.8714 High Similarity NPC51840
0.8714 High Similarity NPC214860
0.8714 High Similarity NPC234488
0.8714 High Similarity NPC299221
0.8707 High Similarity NPC87883
0.8699 High Similarity NPC472335
0.8699 High Similarity NPC107161
0.8699 High Similarity NPC469564
0.8699 High Similarity NPC472332
0.8693 High Similarity NPC476642
0.869 High Similarity NPC259519
0.869 High Similarity NPC160283
0.869 High Similarity NPC254759
0.869 High Similarity NPC291101
0.869 High Similarity NPC22317
0.869 High Similarity NPC266197
0.8684 High Similarity NPC475141
0.8681 High Similarity NPC266453
0.8681 High Similarity NPC151656
0.8681 High Similarity NPC22902
0.8681 High Similarity NPC230919
0.8681 High Similarity NPC20511
0.8681 High Similarity NPC56329
0.8681 High Similarity NPC139548
0.8681 High Similarity NPC52086
0.8681 High Similarity NPC242715
0.8681 High Similarity NPC35550
0.8681 High Similarity NPC148835
0.8681 High Similarity NPC95162
0.8681 High Similarity NPC200935
0.8681 High Similarity NPC266006
0.8681 High Similarity NPC76336
0.8671 High Similarity NPC294884
0.8671 High Similarity NPC69029
0.8671 High Similarity NPC470356
0.8671 High Similarity NPC94750
0.8671 High Similarity NPC195022
0.8671 High Similarity NPC108198
0.8671 High Similarity NPC474206
0.8671 High Similarity NPC112939
0.8671 High Similarity NPC112246
0.8671 High Similarity NPC472337
0.8671 High Similarity NPC158142
0.8671 High Similarity NPC121812
0.8671 High Similarity NPC224941
0.8671 High Similarity NPC200557
0.8671 High Similarity NPC10314
0.8671 High Similarity NPC234865
0.8671 High Similarity NPC311430
0.8667 High Similarity NPC476969
0.8662 High Similarity NPC269528
0.8662 High Similarity NPC94236
0.8662 High Similarity NPC277021
0.8662 High Similarity NPC37196
0.8662 High Similarity NPC229442
0.8662 High Similarity NPC168059
0.8662 High Similarity NPC36661
0.8658 High Similarity NPC15577
0.8658 High Similarity NPC476347
0.8658 High Similarity NPC231149
0.8652 High Similarity NPC12275
0.8652 High Similarity NPC45715
0.8652 High Similarity NPC474356
0.8652 High Similarity NPC232275
0.8643 High Similarity NPC10225
0.8643 High Similarity NPC58164
0.8643 High Similarity NPC45824
0.8639 High Similarity NPC236419
0.8639 High Similarity NPC230157
0.863 High Similarity NPC311530
0.863 High Similarity NPC247291
0.863 High Similarity NPC178054
0.8627 High Similarity NPC473736

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC170239 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
0.8571 High Similarity NPD1529 Clinical (unspecified phase)
0.85 High Similarity NPD1530 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD5844 Phase 1
0.8333 Intermediate Similarity NPD1613 Approved
0.8333 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8301 Intermediate Similarity NPD1653 Approved
0.8252 Intermediate Similarity NPD3027 Phase 3
0.8165 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD6232 Discontinued
0.8063 Intermediate Similarity NPD6234 Discontinued
0.8056 Intermediate Similarity NPD4908 Phase 1
0.8038 Intermediate Similarity NPD1465 Phase 2
0.8038 Intermediate Similarity NPD2801 Approved
0.8 Intermediate Similarity NPD4625 Phase 3
0.7988 Intermediate Similarity NPD7473 Discontinued
0.7963 Intermediate Similarity NPD7199 Phase 2
0.7945 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD1934 Approved
0.7862 Intermediate Similarity NPD37 Approved
0.7832 Intermediate Similarity NPD4749 Approved
0.7826 Intermediate Similarity NPD4967 Phase 2
0.7826 Intermediate Similarity NPD4966 Approved
0.7826 Intermediate Similarity NPD4965 Approved
0.7818 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD6166 Phase 2
0.7818 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7817 Intermediate Similarity NPD422 Phase 1
0.7811 Intermediate Similarity NPD7549 Discontinued
0.7764 Intermediate Similarity NPD3817 Phase 2
0.7725 Intermediate Similarity NPD7228 Approved
0.7718 Intermediate Similarity NPD4060 Phase 1
0.7702 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1611 Approved
0.7692 Intermediate Similarity NPD1610 Phase 2
0.7692 Intermediate Similarity NPD1511 Approved
0.7635 Intermediate Similarity NPD7095 Approved
0.7619 Intermediate Similarity NPD3018 Phase 2
0.7619 Intermediate Similarity NPD2861 Phase 2
0.7613 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1512 Approved
0.7588 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD1548 Phase 1
0.7533 Intermediate Similarity NPD6233 Phase 2
0.7532 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD7074 Phase 3
0.7515 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD3750 Approved
0.75 Intermediate Similarity NPD3882 Suspended
0.7482 Intermediate Similarity NPD5535 Approved
0.7471 Intermediate Similarity NPD7054 Approved
0.7468 Intermediate Similarity NPD6099 Approved
0.7468 Intermediate Similarity NPD6100 Approved
0.7468 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD6798 Discontinued
0.7466 Intermediate Similarity NPD2983 Phase 2
0.7466 Intermediate Similarity NPD2982 Phase 2
0.7442 Intermediate Similarity NPD6559 Discontinued
0.7438 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD1652 Phase 2
0.7436 Intermediate Similarity NPD6674 Discontinued
0.7427 Intermediate Similarity NPD7472 Approved
0.7419 Intermediate Similarity NPD7266 Discontinued
0.7397 Intermediate Similarity NPD2981 Phase 2
0.7394 Intermediate Similarity NPD7768 Phase 2
0.7365 Intermediate Similarity NPD2797 Approved
0.7349 Intermediate Similarity NPD7075 Discontinued
0.7347 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD6190 Approved
0.7333 Intermediate Similarity NPD5402 Approved
0.7325 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD6671 Approved
0.7321 Intermediate Similarity NPD6959 Discontinued
0.732 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD5124 Phase 1
0.7305 Intermediate Similarity NPD5283 Phase 1
0.7301 Intermediate Similarity NPD6599 Discontinued
0.7286 Intermediate Similarity NPD228 Approved
0.7283 Intermediate Similarity NPD6797 Phase 2
0.7278 Intermediate Similarity NPD4628 Phase 3
0.7278 Intermediate Similarity NPD7229 Phase 3
0.7273 Intermediate Similarity NPD7819 Suspended
0.7273 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8455 Phase 2
0.7262 Intermediate Similarity NPD6746 Phase 2
0.7262 Intermediate Similarity NPD5494 Approved
0.726 Intermediate Similarity NPD3496 Discontinued
0.7256 Intermediate Similarity NPD7411 Suspended
0.7255 Intermediate Similarity NPD1558 Phase 1
0.7246 Intermediate Similarity NPD3749 Approved
0.7244 Intermediate Similarity NPD2935 Discontinued
0.7241 Intermediate Similarity NPD7251 Discontinued
0.7241 Intermediate Similarity NPD7240 Approved
0.7239 Intermediate Similarity NPD3226 Approved
0.7237 Intermediate Similarity NPD3268 Approved
0.7219 Intermediate Similarity NPD8127 Discontinued
0.7208 Intermediate Similarity NPD6355 Discontinued
0.7208 Intermediate Similarity NPD447 Suspended
0.7205 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7808 Phase 3
0.7197 Intermediate Similarity NPD5762 Approved
0.7197 Intermediate Similarity NPD5763 Approved
0.7193 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD4626 Approved
0.7181 Intermediate Similarity NPD6696 Suspended
0.7181 Intermediate Similarity NPD3225 Approved
0.7179 Intermediate Similarity NPD3748 Approved
0.717 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD4110 Phase 3
0.7169 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD1608 Approved
0.7143 Intermediate Similarity NPD3022 Approved
0.7143 Intermediate Similarity NPD4140 Approved
0.7143 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3620 Phase 2
0.7143 Intermediate Similarity NPD3021 Approved
0.7143 Intermediate Similarity NPD6799 Approved
0.7143 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD1551 Phase 2
0.7126 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD8054 Approved
0.7119 Intermediate Similarity NPD8053 Approved
0.7108 Intermediate Similarity NPD6801 Discontinued
0.7107 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD7447 Phase 1
0.7097 Intermediate Similarity NPD230 Phase 1
0.7095 Intermediate Similarity NPD1535 Discovery
0.7091 Intermediate Similarity NPD4380 Phase 2
0.7089 Intermediate Similarity NPD3540 Phase 1
0.7086 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD3787 Discontinued
0.7075 Intermediate Similarity NPD1778 Approved
0.707 Intermediate Similarity NPD4308 Phase 3
0.7059 Intermediate Similarity NPD5677 Discontinued
0.7048 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD1481 Phase 2
0.7044 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7212 Phase 2
0.7037 Intermediate Similarity NPD7213 Phase 3
0.7035 Intermediate Similarity NPD3926 Phase 2
0.703 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD3539 Phase 1
0.7021 Intermediate Similarity NPD4750 Phase 3
0.7019 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD5403 Approved
0.7007 Intermediate Similarity NPD5691 Approved
0.7006 Intermediate Similarity NPD7097 Phase 1
0.7 Intermediate Similarity NPD919 Approved
0.6994 Remote Similarity NPD2533 Approved
0.6994 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2532 Approved
0.6994 Remote Similarity NPD2534 Approved
0.6993 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6988 Remote Similarity NPD4675 Approved
0.6988 Remote Similarity NPD4678 Approved
0.6987 Remote Similarity NPD4340 Discontinued
0.6981 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6981 Remote Similarity NPD1550 Clinical (unspecified phase)
0.698 Remote Similarity NPD1091 Approved
0.698 Remote Similarity NPD3705 Approved
0.6974 Remote Similarity NPD6584 Phase 3
0.697 Remote Similarity NPD3686 Approved
0.697 Remote Similarity NPD2370 Clinical (unspecified phase)
0.697 Remote Similarity NPD3687 Approved
0.6968 Remote Similarity NPD7680 Approved
0.6966 Remote Similarity NPD7157 Approved
0.6962 Remote Similarity NPD7033 Discontinued
0.6959 Remote Similarity NPD4666 Phase 3
0.6959 Remote Similarity NPD17 Approved
0.6954 Remote Similarity NPD8651 Approved
0.6954 Remote Similarity NPD1283 Approved
0.6951 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7038 Approved
0.6949 Remote Similarity NPD7039 Approved
0.6943 Remote Similarity NPD1607 Approved
0.6941 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1549 Phase 2
0.6935 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7837 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4357 Discontinued
0.6928 Remote Similarity NPD2237 Approved
0.6928 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6032 Approved
0.6918 Remote Similarity NPD2438 Suspended
0.6914 Remote Similarity NPD3751 Discontinued
0.6908 Remote Similarity NPD3266 Approved
0.6908 Remote Similarity NPD3267 Approved
0.6906 Remote Similarity NPD7906 Approved
0.6903 Remote Similarity NPD1296 Phase 2
0.6903 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6903 Remote Similarity NPD7985 Registered
0.6901 Remote Similarity NPD5709 Phase 3
0.689 Remote Similarity NPD5401 Approved

Structure

External Identifiers

PubChem CID   357890
ChEMBL   CHEMBL1972790
ZINC  

Physicochemical Properties

Molecular Weight:  426.10
ALogP:  -2.4639
MLogP:  2.89
XLogP:  2.321
# Rotatable Bonds:  13
Polar Surface Area:  153.75
# H-Bond Aceptor:  2
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  31

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