Natural Product: NPC216314

Natural Product ID:  NPC216314
Common Name:   Sid503295
IUPAC Name:   7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Synonyms:   7,2',4',5'-Tetramethoxyisoflavone
Molecular Formula:   C19H18O6
Standard InCHIKey:  LMCHYXAZXISBOS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3
Canonical SMILES:  COc1ccc2c(c1)occ(c2=O)c1cc(OC)c(cc1OC)OC
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
NPO16886 Amorpha fruticosa Species Fabaceae Eukaryota PMID[8326318]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM 20430633
NPT368 Cell Line SN12C Homo sapiens GI50 13273.94 nM 19729316
NPT574 Cell Line XF498 Homo sapiens GI50 2576.32 nM 19734910
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 2349.63 nM 19877653
NPT393 Cell Line HCT-116 Homo sapiens GI50 2280.34 nM 19481942
NPT379 Cell Line HOP-62 Homo sapiens GI50 3723.92 nM 11473422
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 1552.39 nM 12932129
NPT402 Cell Line Hs-578T Homo sapiens GI50 1981.53 nM 19916528
NPT731 Cell Line LXFL 529 Homo sapiens GI50 6266.14 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 1836.54 nM 15711537
NPT319 Cell Line B16 Mus musculus IC50 = 5200 nM 23398362
NPT371 Cell Line UO-31 Homo sapiens GI50 34040.82 nM 22197393
NPT395 Cell Line SF-268 Homo sapiens GI50 4731.51 nM 25871540
NPT112 Cell Line MOLT-4 Homo sapiens GI50 1995.26 nM 20163893
NPT375 Cell Line Malme-3M Homo sapiens GI50 4539.42 nM 8864235
NPT374 Cell Line SF-539 Homo sapiens GI50 3296.1 nM 20566771
NPT1174 Cell Line A375 Homo sapiens IC50 = 2640 nM DrugMatrix in vitro pharmacology data
NPT367 Cell Line MDA-N Homo sapiens GI50 262.42 nM Open TG-GATES in vivo data: Hematology
NPT323 Cell Line SW-620 Homo sapiens GI50 2328.09 nM 22877635
NPT737 Cell Line HUVEC Homo sapiens IC50 > 10000 nM 24972008
NPT388 Cell Line NCI-H322M Homo sapiens GI50 18323.14 nM 17125218
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 3647.54 nM 23122818
NPT2 Others Unspecified IC50 = 9170 nM 17869103
NPT111 Cell Line K562 Homo sapiens GI50 1114.29 nM 17567121
NPT308 Cell Line CAKI-1 Homo sapiens GI50 3013.01 nM 24087924
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM 22642560
NPT369 Cell Line ACHN Homo sapiens GI50 82794.22 nM 12027767
NPT386 Cell Line KM12 Homo sapiens GI50 2741.57 nM 18341287
NPT391 Cell Line HCC 2998 Homo sapiens GI50 2944.42 nM 17524651
NPT398 Cell Line UACC-62 Homo sapiens GI50 1967.89 nM 20462233
NPT384 Cell Line TK-10 Homo sapiens GI50 31477.48 nM 19928902
NPT575 Cell Line KM-20L2 Homo sapiens GI50 2051.16 nM 19670881
NPT383 Cell Line SNB-19 Homo sapiens GI50 15310.87 nM 23046382
NPT370 Cell Line NCI-H23 Homo sapiens GI50 8669.62 nM 23398362
NPT406 Cell Line RXF 393 Homo sapiens GI50 2449.06 nM 16643040
NPT139 Cell Line HT-29 Homo sapiens GI50 2349.63 nM 15217282
NPT168 Cell Line P388 Mus musculus ED50 = 0.53 ug/ml 10924160
NPT180 Cell Line HCT-8 Homo sapiens ED50 = 4.63 ug/ml 10924160
NPT1091 Cell Line RPMI-7951 Homo sapiens ED50 = 0.49 ug/ml 10924160
NPT91 Cell Line KB Homo sapiens ED50 = 0.55 ug/ml 10924160
NPT573 Cell Line M19-MEL Homo sapiens GI50 4149.54 nM 19167886
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 3019.95 nM 11929285
NPT577 Cell Line RXF 631 Homo sapiens GI50 5395.11 nM 20439614
NPT399 Cell Line SF-295 Homo sapiens GI50 1663.41 nM 19114678
NPT576 Cell Line DMS-114 Homo sapiens GI50 3019.95 nM 23063566
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 1555.97 nM DrugMatrix in vitro pharmacology data
NPT572 Cell Line DMS-273 Homo sapiens GI50 1845.02 nM 22686608
NPT394 Cell Line EKVX Homo sapiens GI50 36057.86 nM 25647077
NPT397 Cell Line NCI-H460 Homo sapiens GI50 2483.13 nM 19015349
NPT392 Cell Line SNB-75 Homo sapiens GI50 2264.64 nM 10560729
NPT81 Cell Line A549 Homo sapiens GI50 5407.54 nM 10560729
NPT75 Cell Line U251 Homo sapiens IC50 = 9400 nM 18579374
NPT376 Cell Line A498 Homo sapiens GI50 8452.79 nM 20163893
NPT116 Cell Line HL-60 Homo sapiens GI50 734.51 nM 15711537
NPT401 Cell Line 786-0 Homo sapiens GI50 4111.5 nM 18077363
NPT148 Cell Line HCT-15 Homo sapiens GI50 1241.65 nM 12105963
NPT407 Cell Line COLO 205 Homo sapiens GI50 3318.94 nM 17988094
NPT403 Cell Line UACC-257 Homo sapiens GI50 11324 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 4207.27 nM 19845338
NPT387 Cell Line M14 Homo sapiens GI50 4487.45 nM 16989518
NPT83 Cell Line MCF7 Homo sapiens GI50 778.04 nM 20702092
NPT457 Cell Line BT-549 Homo sapiens GI50 100000 nM 19555121
NPT455 Cell Line NCI-H522 Homo sapiens GI50 1279.38 nM 19388705
NPT372 Cell Line HOP-92 Homo sapiens GI50 1811.34 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 2864.18 nM 18417256
NPT396 Cell Line T47D Homo sapiens GI50 6698.85 nM 20044260
NPT390 Cell Line LOX IMVI Homo sapiens GI50 5508.08 nM 20138517
NPT65 Cell Line HepG2 Homo sapiens IC50 = 2040 nM 18710917
NPT458 Cell Line IGROV-1 Homo sapiens GI50 19230.92 nM 19738026
NPT380 Cell Line U-251 Homo sapiens GI50 2192.8 nM Open TG-GATES in vivo data: Hematology
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 2269.86 nM Open TG-GATES in vivo data: Hematology
NPT306 Cell Line PC-3 Homo sapiens GI50 4159.11 nM Open TG-GATES in vivo data: Hematology
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 9727.47 nM Open TG-GATES in vivo data: Biochemistry
NPT579 Cell Line DLD-1 Homo sapiens GI50 3953.67 nM Open TG-GATES in vivo data: Organ Weight
NPT405 Cell Line NCI-H226 Homo sapiens GI50 43151.91 nM 25735399
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM 18163588
NPT385 Cell Line SR Homo sapiens GI50 1267.65 nM 16643041

  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 NPC216314 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 NPC120924
1.0 High Similarity NPC195919
0.9856 High Similarity NPC182842
0.9712 High Similarity NPC185607
0.9653 High Similarity NPC262623
0.9648 High Similarity NPC205522
0.964 High Similarity NPC58229
0.9583 High Similarity NPC156953
0.9583 High Similarity NPC239363
0.958 High Similarity NPC63256
0.958 High Similarity NPC10304
0.9577 High Similarity NPC40818
0.9577 High Similarity NPC106461
0.9577 High Similarity NPC110639
0.9577 High Similarity NPC215932
0.9577 High Similarity NPC14958
0.9521 High Similarity NPC186507
0.9521 High Similarity NPC478213
0.9521 High Similarity NPC124714
0.9514 High Similarity NPC238366
0.951 High Similarity NPC85233
0.9507 High Similarity NPC471590
0.9507 High Similarity NPC136278
0.9504 High Similarity NPC476054
0.9452 High Similarity NPC216769
0.9452 High Similarity NPC209487
0.9452 High Similarity NPC269451
0.9452 High Similarity NPC35763
0.9452 High Similarity NPC291802
0.9452 High Similarity NPC181209
0.9452 High Similarity NPC121522
0.9452 High Similarity NPC131266
0.9452 High Similarity NPC245382
0.9452 High Similarity NPC100263
0.9452 High Similarity NPC100971
0.9452 High Similarity NPC153008
0.9452 High Similarity NPC148497
0.9441 High Similarity NPC302408
0.9441 High Similarity NPC231013
0.9441 High Similarity NPC283002
0.9437 High Similarity NPC23955
0.9437 High Similarity NPC113089
0.9424 High Similarity NPC44573
0.9388 High Similarity NPC250557
0.9388 High Similarity NPC57211
0.9388 High Similarity NPC472408
0.9388 High Similarity NPC280937
0.9388 High Similarity NPC128961
0.9384 High Similarity NPC45291
0.9384 High Similarity NPC279061
0.9384 High Similarity NPC19980
0.9379 High Similarity NPC69752
0.9375 High Similarity NPC93034
0.9375 High Similarity NPC119660
0.9375 High Similarity NPC474999
0.9371 High Similarity NPC165512
0.9366 High Similarity NPC9966
0.9366 High Similarity NPC70853
0.9329 High Similarity NPC19097
0.9324 High Similarity NPC478238
0.9324 High Similarity NPC39184
0.9324 High Similarity NPC130589
0.9324 High Similarity NPC134287
0.932 High Similarity NPC52623
0.932 High Similarity NPC166201
0.9315 High Similarity NPC10467
0.9315 High Similarity NPC259058
0.9315 High Similarity NPC201547
0.931 High Similarity NPC476058
0.9306 High Similarity NPC12377
0.9301 High Similarity NPC293201
0.9296 High Similarity NPC124467
0.9296 High Similarity NPC214919
0.9296 High Similarity NPC29536
0.9262 High Similarity NPC180340
0.9257 High Similarity NPC472915
0.9252 High Similarity NPC226973
0.9252 High Similarity NPC208043
0.9252 High Similarity NPC308451
0.9247 High Similarity NPC139293
0.9247 High Similarity NPC264289
0.9247 High Similarity NPC181250
0.9247 High Similarity NPC92722
0.9247 High Similarity NPC200060
0.9247 High Similarity NPC142876
0.9247 High Similarity NPC333691
0.9247 High Similarity NPC40290
0.9247 High Similarity NPC102003
0.9247 High Similarity NPC264550
0.9247 High Similarity NPC69430
0.9247 High Similarity NPC195763
0.9241 High Similarity NPC299923
0.9241 High Similarity NPC470511
0.9209 High Similarity NPC143649
0.92 High Similarity NPC181960
0.92 High Similarity NPC476981
0.92 High Similarity NPC78103
0.9195 High Similarity NPC213622
0.9195 High Similarity NPC37392
0.9195 High Similarity NPC20830
0.9195 High Similarity NPC472909
0.9195 High Similarity NPC256612
0.9189 High Similarity NPC40033
0.9189 High Similarity NPC134677
0.9184 High Similarity NPC189270
0.9184 High Similarity NPC306821
0.9184 High Similarity NPC5840
0.9178 High Similarity NPC194653
0.9178 High Similarity NPC15329
0.9178 High Similarity NPC139364
0.9178 High Similarity NPC80710
0.9178 High Similarity NPC203747
0.9178 High Similarity NPC254702
0.9178 High Similarity NPC131451
0.9178 High Similarity NPC287395
0.9178 High Similarity NPC183655
0.9178 High Similarity NPC218490
0.9178 High Similarity NPC476342
0.9172 High Similarity NPC310259
0.9145 High Similarity NPC165549
0.9139 High Similarity NPC215375
0.9139 High Similarity NPC62518
0.9137 High Similarity NPC223354
0.9133 High Similarity NPC472916
0.9133 High Similarity NPC303255
0.9128 High Similarity NPC231018
0.9128 High Similarity NPC47781
0.9128 High Similarity NPC86485
0.9128 High Similarity NPC69394
0.9128 High Similarity NPC160951
0.9128 High Similarity NPC176775
0.9128 High Similarity NPC183878
0.9128 High Similarity NPC145379
0.9128 High Similarity NPC22519
0.9128 High Similarity NPC255350
0.9128 High Similarity NPC274327
0.9122 High Similarity NPC149614
0.9122 High Similarity NPC117579
0.9122 High Similarity NPC474663
0.9122 High Similarity NPC256406
0.9122 High Similarity NPC198615
0.9116 High Similarity NPC328119
0.911 High Similarity NPC125449
0.911 High Similarity NPC188074
0.9097 High Similarity NPC119663
0.9079 High Similarity NPC476980
0.9079 High Similarity NPC298093
0.9078 High Similarity NPC157944
0.9078 High Similarity NPC474274
0.9073 High Similarity NPC474208
0.9073 High Similarity NPC472911
0.9073 High Similarity NPC162869
0.9073 High Similarity NPC48208
0.9073 High Similarity NPC167595
0.9073 High Similarity NPC210084
0.9073 High Similarity NPC475267
0.9073 High Similarity NPC472914
0.9073 High Similarity NPC258644
0.9073 High Similarity NPC99597
0.9073 High Similarity NPC245758
0.9073 High Similarity NPC222814
0.9073 High Similarity NPC474836
0.9073 High Similarity NPC96167
0.9073 High Similarity NPC472913
0.9073 High Similarity NPC472910
0.9073 High Similarity NPC156057
0.9073 High Similarity NPC470402
0.9067 High Similarity NPC241774
0.9067 High Similarity NPC34725
0.9067 High Similarity NPC138360
0.9067 High Similarity NPC280339
0.9067 High Similarity NPC50715
0.9067 High Similarity NPC183597
0.9067 High Similarity NPC196439
0.9067 High Similarity NPC189960
0.9067 High Similarity NPC2928
0.9067 High Similarity NPC208197
0.9067 High Similarity NPC163780
0.9067 High Similarity NPC4455
0.9067 High Similarity NPC276059
0.9067 High Similarity NPC227325
0.9067 High Similarity NPC167815
0.9067 High Similarity NPC92659
0.9067 High Similarity NPC122623
0.9067 High Similarity NPC31018
0.9067 High Similarity NPC255807
0.9067 High Similarity NPC201136
0.9067 High Similarity NPC146165
0.9067 High Similarity NPC2476
0.9067 High Similarity NPC32557
0.9067 High Similarity NPC128863
0.9065 High Similarity NPC182428
0.906 High Similarity NPC156222
0.906 High Similarity NPC222830
0.906 High Similarity NPC301323
0.906 High Similarity NPC68882
0.906 High Similarity NPC292460
0.906 High Similarity NPC83508
0.906 High Similarity NPC162313
0.906 High Similarity NPC293183

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC216314 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
0.9128 High Similarity NPD2801 Approved
0.9079 High Similarity NPD5494 Approved
0.8816 High Similarity NPD3817 Phase 2
0.8811 High Similarity NPD2796 Approved
0.8808 High Similarity NPD1934 Approved
0.8654 High Similarity NPD1247 Approved
0.8636 High Similarity NPD3882 Suspended
0.8627 High Similarity NPD2393 Clinical (unspecified phase)
0.8611 High Similarity NPD1510 Phase 2
0.8523 High Similarity NPD1511 Approved
0.85 High Similarity NPD3818 Discontinued
0.8477 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8431 Intermediate Similarity NPD4380 Phase 2
0.8411 Intermediate Similarity NPD1512 Approved
0.8375 Intermediate Similarity NPD6166 Phase 2
0.8375 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8375 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8365 Intermediate Similarity NPD6232 Discontinued
0.8344 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD1240 Approved
0.8323 Intermediate Similarity NPD7473 Discontinued
0.8313 Intermediate Similarity NPD3926 Phase 2
0.8291 Intermediate Similarity NPD919 Approved
0.8278 Intermediate Similarity NPD6799 Approved
0.8242 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8221 Intermediate Similarity NPD7054 Approved
0.8219 Intermediate Similarity NPD1607 Approved
0.8217 Intermediate Similarity NPD5402 Approved
0.8188 Intermediate Similarity NPD1549 Phase 2
0.8171 Intermediate Similarity NPD7074 Phase 3
0.8171 Intermediate Similarity NPD7472 Approved
0.8165 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD7819 Suspended
0.8121 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD5844 Phase 1
0.8089 Intermediate Similarity NPD6801 Discontinued
0.8082 Intermediate Similarity NPD943 Approved
0.8077 Intermediate Similarity NPD6599 Discontinued
0.8054 Intermediate Similarity NPD2935 Discontinued
0.8024 Intermediate Similarity NPD7808 Phase 3
0.8012 Intermediate Similarity NPD6797 Phase 2
0.8 Intermediate Similarity NPD920 Approved
0.8 Intermediate Similarity NPD7075 Discontinued
0.7987 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD7251 Discontinued
0.7911 Intermediate Similarity NPD7411 Suspended
0.7871 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD3748 Approved
0.7866 Intermediate Similarity NPD5242 Approved
0.7829 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD1933 Approved
0.7778 Intermediate Similarity NPD1243 Approved
0.7771 Intermediate Similarity NPD5403 Approved
0.7764 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD5401 Approved
0.7742 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD5536 Phase 2
0.7702 Intermediate Similarity NPD1465 Phase 2
0.7692 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD6386 Approved
0.7688 Intermediate Similarity NPD6385 Approved
0.7679 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD2798 Approved
0.7667 Intermediate Similarity NPD230 Phase 1
0.7667 Intermediate Similarity NPD447 Suspended
0.7654 Intermediate Similarity NPD5353 Approved
0.7643 Intermediate Similarity NPD2534 Approved
0.7643 Intermediate Similarity NPD2533 Approved
0.7643 Intermediate Similarity NPD2532 Approved
0.7636 Intermediate Similarity NPD6959 Discontinued
0.7635 Intermediate Similarity NPD3027 Phase 3
0.7613 Intermediate Similarity NPD3750 Approved
0.7584 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD6832 Phase 2
0.755 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD2654 Approved
0.7544 Intermediate Similarity NPD6559 Discontinued
0.7543 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD37 Approved
0.7517 Intermediate Similarity NPD3972 Approved
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD9494 Approved
0.75 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7768 Phase 2
0.75 Intermediate Similarity NPD3018 Phase 2
0.7468 Intermediate Similarity NPD1551 Phase 2
0.7467 Intermediate Similarity NPD2313 Discontinued
0.7455 Intermediate Similarity NPD3749 Approved
0.7436 Intermediate Similarity NPD2800 Approved
0.7425 Intermediate Similarity NPD7199 Phase 2
0.7403 Intermediate Similarity NPD2799 Discontinued
0.7397 Intermediate Similarity NPD2981 Phase 2
0.7394 Intermediate Similarity NPD4966 Approved
0.7394 Intermediate Similarity NPD4965 Approved
0.7394 Intermediate Similarity NPD4967 Phase 2
0.7389 Intermediate Similarity NPD4628 Phase 3
0.7386 Intermediate Similarity NPD6651 Approved
0.7368 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD1613 Approved
0.7363 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD2983 Phase 2
0.7347 Intermediate Similarity NPD2982 Phase 2
0.7346 Intermediate Similarity NPD3226 Approved
0.7342 Intermediate Similarity NPD6190 Approved
0.7337 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD6844 Discontinued
0.731 Intermediate Similarity NPD3751 Discontinued
0.7308 Intermediate Similarity NPD2346 Discontinued
0.7308 Intermediate Similarity NPD2344 Approved
0.7305 Intermediate Similarity NPD5283 Phase 1
0.7305 Intermediate Similarity NPD6234 Discontinued
0.7294 Intermediate Similarity NPD2403 Approved
0.7284 Intermediate Similarity NPD1653 Approved
0.7283 Intermediate Similarity NPD5953 Discontinued
0.7278 Intermediate Similarity NPD3787 Discontinued
0.7273 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7286 Phase 2
0.7267 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD7390 Discontinued
0.725 Intermediate Similarity NPD4357 Discontinued
0.7229 Intermediate Similarity NPD5978 Approved
0.7229 Intermediate Similarity NPD5977 Approved
0.72 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD1876 Approved
0.7143 Intermediate Similarity NPD7685 Pre-registration
0.7143 Intermediate Similarity NPD4307 Phase 2
0.7134 Intermediate Similarity NPD7458 Discontinued
0.7134 Intermediate Similarity NPD6099 Approved
0.7134 Intermediate Similarity NPD6100 Approved
0.7133 Intermediate Similarity NPD3266 Approved
0.7133 Intermediate Similarity NPD3267 Approved
0.7125 Intermediate Similarity NPD2309 Approved
0.7123 Intermediate Similarity NPD9268 Approved
0.7097 Intermediate Similarity NPD5006 Approved
0.7097 Intermediate Similarity NPD5005 Approved
0.7089 Intermediate Similarity NPD1471 Phase 3
0.7086 Intermediate Similarity NPD1019 Discontinued
0.7081 Intermediate Similarity NPD6780 Approved
0.7081 Intermediate Similarity NPD6776 Approved
0.7081 Intermediate Similarity NPD6781 Approved
0.7081 Intermediate Similarity NPD6778 Approved
0.7081 Intermediate Similarity NPD6777 Approved
0.7081 Intermediate Similarity NPD6782 Approved
0.7081 Intermediate Similarity NPD6779 Approved
0.7076 Intermediate Similarity NPD5711 Approved
0.7076 Intermediate Similarity NPD5710 Approved
0.7075 Intermediate Similarity NPD17 Approved
0.707 Intermediate Similarity NPD7033 Discontinued
0.7063 Intermediate Similarity NPD1241 Discontinued
0.7055 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD9269 Phase 2
0.7039 Intermediate Similarity NPD8434 Phase 2
0.7025 Intermediate Similarity NPD3539 Phase 1
0.702 Intermediate Similarity NPD1470 Approved
0.702 Intermediate Similarity NPD1203 Approved
0.7019 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD3887 Approved
0.7013 Intermediate Similarity NPD3268 Approved
0.7013 Intermediate Similarity NPD1296 Phase 2
0.7011 Intermediate Similarity NPD7228 Approved
0.7007 Intermediate Similarity NPD1651 Approved
0.7006 Intermediate Similarity NPD6280 Approved
0.7006 Intermediate Similarity NPD6279 Approved
0.7006 Intermediate Similarity NPD7549 Discontinued
0.6994 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4908 Phase 1
0.6981 Remote Similarity NPD3540 Phase 1
0.6977 Remote Similarity NPD7229 Phase 3
0.6973 Remote Similarity NPD4420 Approved
0.6968 Remote Similarity NPD7696 Phase 3
0.6968 Remote Similarity NPD7697 Approved
0.6968 Remote Similarity NPD6233 Phase 2
0.6968 Remote Similarity NPD7698 Approved
0.6968 Remote Similarity NPD7435 Discontinued
0.6962 Remote Similarity NPD4308 Phase 3
0.6957 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6946 Remote Similarity NPD5890 Approved
0.6946 Remote Similarity NPD6873 Phase 2
0.6946 Remote Similarity NPD5889 Approved
0.6944 Remote Similarity NPD8150 Discontinued
0.6939 Remote Similarity NPD1548 Phase 1
0.6933 Remote Similarity NPD9717 Approved
0.6933 Remote Similarity NPD1608 Approved
0.6931 Remote Similarity NPD7871 Phase 2
0.6931 Remote Similarity NPD7870 Phase 2
0.6923 Remote Similarity NPD4288 Approved
0.6919 Remote Similarity NPD8090 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   165203
ChEMBL   CHEMBL478578
ZINC  

Physicochemical Properties

Molecular Weight:  342.11
ALogP:  -0.8739
MLogP:  2.89
XLogP:  2.625
# Rotatable Bonds:  9
Polar Surface Area:  63.22
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  25

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Structure MOL file  
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Biological Activities  
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