Natural Product: NPC165512

Natural Product ID:  NPC165512
Common Name:   5,6,7,8-Tetramethoxy-2-(2,4,5-Trimethoxyphenyl)Chromen-4-One
IUPAC Name:   5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Synonyms:   NSC-83279
Molecular Formula:   C22H24O9
Standard InCHIKey:  GQZBZQRNQGILGI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3
Canonical SMILES:  COc1cc(OC)c(cc1c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC)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
NPO13624 Ageratum corymbosum Species Asteraceae Eukaryota DOI[10.1016/S0031-9422(00)91044-6]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens ED50 = 13 ug/ml 469554
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 32960.97 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 20844.91 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 11561.12 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 13583.13 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 46773.51 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 61235.04 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 73113.91 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 22181.96 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 21877.62 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 36057.86 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 63973.48 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 31260.79 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 87700.08 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 19815.27 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 97498.96 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 28313.92 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 74131.02 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 17660.38 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 20137.24 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 90782.05 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 14859.36 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 88104.89 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 8184.65 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 29648.31 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 36057.86 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 28119.01 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 69342.58 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 31988.95 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 28444.61 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 12676.52 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 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 NPC165512 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
0.9928 High Similarity NPC302408
0.9928 High Similarity NPC283002
0.9857 High Similarity NPC85233
0.9786 High Similarity NPC106461
0.9786 High Similarity NPC40818
0.9786 High Similarity NPC110639
0.9786 High Similarity NPC215932
0.9786 High Similarity NPC14958
0.9718 High Similarity NPC181250
0.9716 High Similarity NPC205522
0.965 High Similarity NPC201547
0.965 High Similarity NPC259058
0.9643 High Similarity NPC23955
0.964 High Similarity NPC29536
0.958 High Similarity NPC69752
0.9574 High Similarity NPC136278
0.9571 High Similarity NPC9966
0.9571 High Similarity NPC70853
0.9517 High Similarity NPC134677
0.951 High Similarity NPC63256
0.951 High Similarity NPC10304
0.9504 High Similarity NPC113089
0.9504 High Similarity NPC182842
0.95 High Similarity NPC214919
0.95 High Similarity NPC124467
0.9452 High Similarity NPC276409
0.9452 High Similarity NPC250822
0.9452 High Similarity NPC75279
0.9448 High Similarity NPC226973
0.9448 High Similarity NPC208043
0.9444 High Similarity NPC238366
0.9444 High Similarity NPC328119
0.9388 High Similarity NPC128863
0.9388 High Similarity NPC4455
0.9388 High Similarity NPC50715
0.9388 High Similarity NPC138360
0.9388 High Similarity NPC280339
0.9388 High Similarity NPC276059
0.9388 High Similarity NPC201136
0.9388 High Similarity NPC146165
0.9388 High Similarity NPC122623
0.9388 High Similarity NPC92659
0.9388 High Similarity NPC34725
0.9388 High Similarity NPC2476
0.9388 High Similarity NPC241774
0.9388 High Similarity NPC167815
0.9388 High Similarity NPC227325
0.9388 High Similarity NPC183597
0.9388 High Similarity NPC163780
0.9388 High Similarity NPC208197
0.9388 High Similarity NPC196439
0.9384 High Similarity NPC142540
0.9384 High Similarity NPC166201
0.9379 High Similarity NPC29056
0.9379 High Similarity NPC306821
0.9371 High Similarity NPC195919
0.9371 High Similarity NPC231013
0.9371 High Similarity NPC216314
0.9371 High Similarity NPC310259
0.9371 High Similarity NPC120924
0.9324 High Similarity NPC474520
0.9324 High Similarity NPC257277
0.9324 High Similarity NPC268161
0.9324 High Similarity NPC178854
0.932 High Similarity NPC255350
0.932 High Similarity NPC246204
0.932 High Similarity NPC476289
0.932 High Similarity NPC472408
0.932 High Similarity NPC145379
0.932 High Similarity NPC128961
0.932 High Similarity NPC274327
0.932 High Similarity NPC69394
0.932 High Similarity NPC280937
0.932 High Similarity NPC183878
0.932 High Similarity NPC86485
0.932 High Similarity NPC47781
0.932 High Similarity NPC186507
0.932 High Similarity NPC22519
0.932 High Similarity NPC176775
0.932 High Similarity NPC160951
0.932 High Similarity NPC231018
0.9315 High Similarity NPC308451
0.9315 High Similarity NPC474663
0.9315 High Similarity NPC198615
0.9306 High Similarity NPC33265
0.9306 High Similarity NPC299923
0.9306 High Similarity NPC62536
0.9301 High Similarity NPC471590
0.9291 High Similarity NPC58229
0.9262 High Similarity NPC78302
0.9262 High Similarity NPC235215
0.9262 High Similarity NPC227192
0.9262 High Similarity NPC93376
0.9262 High Similarity NPC224137
0.9262 High Similarity NPC7973
0.9262 High Similarity NPC472438
0.9262 High Similarity NPC75215
0.9262 High Similarity NPC189179
0.9262 High Similarity NPC29841
0.9257 High Similarity NPC189960
0.9257 High Similarity NPC20830
0.9257 High Similarity NPC213622
0.9257 High Similarity NPC32557
0.9257 High Similarity NPC256612
0.9252 High Similarity NPC212678
0.9252 High Similarity NPC71334
0.9252 High Similarity NPC100887
0.9252 High Similarity NPC156222
0.9252 High Similarity NPC301123
0.9252 High Similarity NPC275836
0.9252 High Similarity NPC301323
0.9252 High Similarity NPC239128
0.9252 High Similarity NPC25270
0.9252 High Similarity NPC83508
0.9252 High Similarity NPC57030
0.9252 High Similarity NPC293183
0.9252 High Similarity NPC256283
0.9252 High Similarity NPC292460
0.9252 High Similarity NPC187498
0.9252 High Similarity NPC162313
0.9252 High Similarity NPC188203
0.9252 High Similarity NPC131624
0.9252 High Similarity NPC275722
0.9252 High Similarity NPC222830
0.9252 High Similarity NPC120163
0.9252 High Similarity NPC241498
0.9252 High Similarity NPC198826
0.9247 High Similarity NPC219330
0.9241 High Similarity NPC261548
0.9241 High Similarity NPC195202
0.9231 High Similarity NPC293201
0.92 High Similarity NPC193842
0.92 High Similarity NPC261004
0.92 High Similarity NPC22472
0.92 High Similarity NPC18772
0.92 High Similarity NPC176300
0.92 High Similarity NPC19687
0.92 High Similarity NPC105242
0.92 High Similarity NPC4481
0.92 High Similarity NPC288669
0.92 High Similarity NPC7846
0.92 High Similarity NPC18607
0.92 High Similarity NPC238405
0.92 High Similarity NPC25495
0.92 High Similarity NPC9609
0.92 High Similarity NPC115798
0.92 High Similarity NPC143828
0.92 High Similarity NPC191459
0.92 High Similarity NPC300943
0.92 High Similarity NPC152166
0.92 High Similarity NPC257914
0.92 High Similarity NPC204854
0.92 High Similarity NPC104459
0.92 High Similarity NPC130894
0.92 High Similarity NPC253634
0.9195 High Similarity NPC49824
0.9195 High Similarity NPC247017
0.9195 High Similarity NPC180340
0.9195 High Similarity NPC98661
0.9195 High Similarity NPC200388
0.9195 High Similarity NPC100916
0.9195 High Similarity NPC55619
0.9189 High Similarity NPC472915
0.9184 High Similarity NPC117579
0.9184 High Similarity NPC474170
0.9184 High Similarity NPC474388
0.9184 High Similarity NPC76376
0.9184 High Similarity NPC472535
0.9178 High Similarity NPC48479
0.9178 High Similarity NPC177298
0.9172 High Similarity NPC12200
0.9137 High Similarity NPC143649
0.9133 High Similarity NPC476981
0.9133 High Similarity NPC19097
0.9133 High Similarity NPC203891
0.9133 High Similarity NPC101830
0.9133 High Similarity NPC305663
0.9133 High Similarity NPC163524
0.9133 High Similarity NPC287979
0.9133 High Similarity NPC110070
0.9133 High Similarity NPC470402
0.9133 High Similarity NPC176665
0.9128 High Similarity NPC26227
0.9128 High Similarity NPC37392
0.9128 High Similarity NPC472909
0.9128 High Similarity NPC44079
0.9128 High Similarity NPC201451
0.9122 High Similarity NPC39732
0.9122 High Similarity NPC60972
0.9122 High Similarity NPC52623
0.9116 High Similarity NPC239363
0.9116 High Similarity NPC50728
0.9116 High Similarity NPC177839
0.9116 High Similarity NPC179183
0.9116 High Similarity NPC184136
0.9116 High Similarity NPC166753
0.911 High Similarity NPC476058
0.911 High Similarity NPC476342
0.911 High Similarity NPC120464
0.911 High Similarity NPC183236

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC165512 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
0.932 High Similarity NPD2801 Approved
0.9 High Similarity NPD3817 Phase 2
0.8889 High Similarity NPD5494 Approved
0.8742 High Similarity NPD1934 Approved
0.8707 High Similarity NPD1511 Approved
0.8611 High Similarity NPD2796 Approved
0.8591 High Similarity NPD1512 Approved
0.8571 High Similarity NPD3882 Suspended
0.8562 High Similarity NPD2393 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD1247 Approved
0.8438 Intermediate Similarity NPD3818 Discontinued
0.8428 Intermediate Similarity NPD6166 Phase 2
0.8428 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8428 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8405 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8385 Intermediate Similarity NPD7054 Approved
0.8365 Intermediate Similarity NPD3926 Phase 2
0.8333 Intermediate Similarity NPD7472 Approved
0.8269 Intermediate Similarity NPD5402 Approved
0.8221 Intermediate Similarity NPD7074 Phase 3
0.8217 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8212 Intermediate Similarity NPD6799 Approved
0.8187 Intermediate Similarity NPD6232 Discontinued
0.8182 Intermediate Similarity NPD7808 Phase 3
0.8171 Intermediate Similarity NPD6797 Phase 2
0.817 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD7473 Discontinued
0.8141 Intermediate Similarity NPD6801 Discontinued
0.8129 Intermediate Similarity NPD4380 Phase 2
0.8121 Intermediate Similarity NPD7251 Discontinued
0.8113 Intermediate Similarity NPD919 Approved
0.8089 Intermediate Similarity NPD7819 Suspended
0.8054 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8054 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8041 Intermediate Similarity NPD1510 Phase 2
0.8039 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1549 Phase 2
0.7975 Intermediate Similarity NPD1465 Phase 2
0.7975 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD5844 Phase 1
0.7937 Intermediate Similarity NPD7075 Discontinued
0.7935 Intermediate Similarity NPD920 Approved
0.7901 Intermediate Similarity NPD6959 Discontinued
0.7898 Intermediate Similarity NPD6599 Discontinued
0.7891 Intermediate Similarity NPD1240 Approved
0.7881 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD7411 Suspended
0.7838 Intermediate Similarity NPD1933 Approved
0.7829 Intermediate Similarity NPD1243 Approved
0.7821 Intermediate Similarity NPD5403 Approved
0.7812 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD5401 Approved
0.78 Intermediate Similarity NPD3748 Approved
0.7785 Intermediate Similarity NPD1607 Approved
0.7738 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD447 Suspended
0.7712 Intermediate Similarity NPD2800 Approved
0.7692 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD943 Approved
0.7635 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD2935 Discontinued
0.7619 Intermediate Similarity NPD6832 Phase 2
0.7564 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD3750 Approved
0.7545 Intermediate Similarity NPD2403 Approved
0.7485 Intermediate Similarity NPD5353 Approved
0.7485 Intermediate Similarity NPD6559 Discontinued
0.7485 Intermediate Similarity NPD5242 Approved
0.7484 Intermediate Similarity NPD2654 Approved
0.7483 Intermediate Similarity NPD230 Phase 1
0.7483 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD7199 Phase 2
0.7468 Intermediate Similarity NPD2532 Approved
0.7468 Intermediate Similarity NPD2534 Approved
0.7468 Intermediate Similarity NPD2533 Approved
0.744 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6651 Approved
0.7432 Intermediate Similarity NPD3018 Phase 2
0.7432 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6385 Approved
0.7407 Intermediate Similarity NPD6386 Approved
0.7405 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD1551 Phase 2
0.74 Intermediate Similarity NPD2313 Discontinued
0.7394 Intermediate Similarity NPD3749 Approved
0.7394 Intermediate Similarity NPD5536 Phase 2
0.7391 Intermediate Similarity NPD3226 Approved
0.7383 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD37 Approved
0.7338 Intermediate Similarity NPD2799 Discontinued
0.7333 Intermediate Similarity NPD7768 Phase 2
0.7333 Intermediate Similarity NPD4965 Approved
0.7333 Intermediate Similarity NPD4967 Phase 2
0.7333 Intermediate Similarity NPD4966 Approved
0.7329 Intermediate Similarity NPD2981 Phase 2
0.7329 Intermediate Similarity NPD1653 Approved
0.7325 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD3787 Discontinued
0.7308 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1613 Approved
0.729 Intermediate Similarity NPD6100 Approved
0.729 Intermediate Similarity NPD6099 Approved
0.7288 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2983 Phase 2
0.7279 Intermediate Similarity NPD2982 Phase 2
0.7256 Intermediate Similarity NPD6844 Discontinued
0.7251 Intermediate Similarity NPD3751 Discontinued
0.7248 Intermediate Similarity NPD2798 Approved
0.7246 Intermediate Similarity NPD6234 Discontinued
0.7244 Intermediate Similarity NPD2346 Discontinued
0.7244 Intermediate Similarity NPD2344 Approved
0.7235 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD5953 Discontinued
0.7219 Intermediate Similarity NPD3027 Phase 3
0.7215 Intermediate Similarity NPD4628 Phase 3
0.7209 Intermediate Similarity NPD7286 Phase 2
0.7205 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7390 Discontinued
0.7181 Intermediate Similarity NPD3267 Approved
0.7181 Intermediate Similarity NPD3266 Approved
0.717 Intermediate Similarity NPD6190 Approved
0.7143 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD17 Approved
0.7111 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD3972 Approved
0.7086 Intermediate Similarity NPD9494 Approved
0.7078 Intermediate Similarity NPD4307 Phase 2
0.7067 Intermediate Similarity NPD1203 Approved
0.7063 Intermediate Similarity NPD2309 Approved
0.7059 Intermediate Similarity NPD3268 Approved
0.7059 Intermediate Similarity NPD1296 Phase 2
0.7047 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1471 Phase 3
0.7024 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD1019 Discontinued
0.7013 Intermediate Similarity NPD6233 Phase 2
0.7006 Intermediate Similarity NPD7033 Discontinued
0.7 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1241 Discontinued
0.6993 Remote Similarity NPD5283 Phase 1
0.6989 Remote Similarity NPD7685 Pre-registration
0.6986 Remote Similarity NPD1548 Phase 1
0.6983 Remote Similarity NPD8434 Phase 2
0.698 Remote Similarity NPD9717 Approved
0.698 Remote Similarity NPD1608 Approved
0.6975 Remote Similarity NPD4357 Discontinued
0.6962 Remote Similarity NPD3539 Phase 1
0.6954 Remote Similarity NPD7228 Approved
0.6954 Remote Similarity NPD2797 Approved
0.6939 Remote Similarity NPD9268 Approved
0.6933 Remote Similarity NPD3146 Approved
0.6933 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6928 Remote Similarity NPD4908 Phase 1
0.6919 Remote Similarity NPD5710 Approved
0.6919 Remote Similarity NPD5711 Approved
0.6919 Remote Similarity NPD7229 Phase 3
0.6918 Remote Similarity NPD3540 Phase 1
0.6913 Remote Similarity NPD422 Phase 1
0.6899 Remote Similarity NPD4308 Phase 3
0.6887 Remote Similarity NPD3225 Approved
0.6867 Remote Similarity NPD9269 Phase 2
0.6865 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5978 Approved
0.6864 Remote Similarity NPD5977 Approved
0.6864 Remote Similarity NPD4288 Approved
0.6862 Remote Similarity NPD5006 Approved
0.6862 Remote Similarity NPD5005 Approved
0.6854 Remote Similarity NPD7549 Discontinued
0.6852 Remote Similarity NPD3887 Approved
0.6848 Remote Similarity NPD4363 Phase 3
0.6848 Remote Similarity NPD4360 Phase 2
0.6845 Remote Similarity NPD6280 Approved
0.6845 Remote Similarity NPD6776 Approved
0.6845 Remote Similarity NPD6779 Approved
0.6845 Remote Similarity NPD6279 Approved
0.6845 Remote Similarity NPD6777 Approved
0.6845 Remote Similarity NPD6780 Approved
0.6845 Remote Similarity NPD6778 Approved
0.6845 Remote Similarity NPD6782 Approved
0.6845 Remote Similarity NPD6781 Approved
0.6842 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6839 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6798 Discontinued
0.6839 Remote Similarity NPD411 Approved
0.6832 Remote Similarity NPD1652 Phase 2
0.6829 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6816 Remote Similarity NPD8312 Approved
0.6816 Remote Similarity NPD8313 Approved

Structure

External Identifiers

PubChem CID   256420
ChEMBL   CHEMBL521296
ZINC  

Physicochemical Properties

Molecular Weight:  432.14
ALogP:  -0.8662
MLogP:  2.89
XLogP:  1.348
# Rotatable Bonds:  15
Polar Surface Area:  90.91
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  31

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