Natural Product: NPC316457

Natural Product ID:  NPC316457
Common Name:   n.a.
IUPAC Name:  
Synonyms:   GNF-Pf-1439
Molecular Formula:   C21H24O9
Standard InCHIKey:  WWNXYRCJJRRWAQ-ALCXHWRFSA-N
Standard InCHI:  InChI=1S/C21H24O9/c1-8-14(22)20-15(23)10-6-5-7-11(27-3)12(10)17(28-4)21(20,30-20)18(25)19(8,26)16(24)13-9(2)29-13/h5-9,13-14,17-18,22,25-26H,1-4H3/t8-,9-,13+,14+,17-,18-,19+,20+,21+/m0/s1
Canonical SMILES:  COc1cccc2c1[C@H](OC)[C@@]13[C@@](C2=O)(O1)[C@H](O)[C@@H]([C@@]([C@@H]3O)(O)C(=O)[C@@H]1O[C@H]1C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0001177 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO25078 Streptomyces bottropensis Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 264.85 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 40.46 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 210.86 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 196.34 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 249.46 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 310.46 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 194.09 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 281.84 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 271.02 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 172.19 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 168.66 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 259.42 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 252.93 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 276.06 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 299.23 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 232.27 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 337.29 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 216.77 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 303.39 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 297.17 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 202.3 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 286.42 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 212.81 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 318.42 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 210.38 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 184.93 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 317.69 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 221.31 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 149.28 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 172.19 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 207.97 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 236.59 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 289.07 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 175.39 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 198.61 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 233.35 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 255.27 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 317.69 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 246.04 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 187.07 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 266.07 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 293.76 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 210.38 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 312.61 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 258.23 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 297.85 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 272.9 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 214.29 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 218.27 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 229.09 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 234.96 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 264.24 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 224.91 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 155.24 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 219.79 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 334.97 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 230.14 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 244.91 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 164.82 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 NPC316457 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
0.9416 High Similarity NPC314257
0.9308 High Similarity NPC472049
0.8924 High Similarity NPC68727
0.8917 High Similarity NPC180944
0.8827 High Similarity NPC478229
0.882 High Similarity NPC472055
0.8797 High Similarity NPC470337
0.8797 High Similarity NPC470338
0.8797 High Similarity NPC268992
0.8797 High Similarity NPC51824
0.8797 High Similarity NPC113608
0.879 High Similarity NPC225854
0.8765 High Similarity NPC478134
0.8765 High Similarity NPC478222
0.8758 High Similarity NPC470339
0.8704 High Similarity NPC284495
0.8679 High Similarity NPC470340
0.8675 High Similarity NPC473095
0.8675 High Similarity NPC473096
0.865 High Similarity NPC87431
0.8634 High Similarity NPC164427
0.8616 High Similarity NPC205918
0.8614 High Similarity NPC473094
0.8606 High Similarity NPC75944
0.8596 High Similarity NPC208069
0.8589 High Similarity NPC155302
0.8589 High Similarity NPC161947
0.8571 High Similarity NPC473113
0.8571 High Similarity NPC175192
0.8571 High Similarity NPC99381
0.8554 High Similarity NPC472150
0.8554 High Similarity NPC175082
0.8545 High Similarity NPC120677
0.8545 High Similarity NPC74371
0.8519 High Similarity NPC478223
0.8509 High Similarity NPC155686
0.8503 High Similarity NPC225419
0.8503 High Similarity NPC283041
0.8503 High Similarity NPC103633
0.85 High Similarity NPC207346
0.85 High Similarity NPC46564
0.8485 Intermediate Similarity NPC48860
0.8485 Intermediate Similarity NPC191360
0.8466 Intermediate Similarity NPC472889
0.8466 Intermediate Similarity NPC246466
0.8462 Intermediate Similarity NPC3732
0.8457 Intermediate Similarity NPC478133
0.8452 Intermediate Similarity NPC137460
0.8447 Intermediate Similarity NPC253904
0.8447 Intermediate Similarity NPC321363
0.8447 Intermediate Similarity NPC327225
0.8443 Intermediate Similarity NPC20237
0.843 Intermediate Similarity NPC254588
0.8424 Intermediate Similarity NPC476929
0.8424 Intermediate Similarity NPC472153
0.8424 Intermediate Similarity NPC201560
0.8421 Intermediate Similarity NPC272656
0.8415 Intermediate Similarity NPC477410
0.8412 Intermediate Similarity NPC469393
0.8402 Intermediate Similarity NPC313717
0.8402 Intermediate Similarity NPC315306
0.8395 Intermediate Similarity NPC478218
0.8393 Intermediate Similarity NPC150131
0.8385 Intermediate Similarity NPC46882
0.8385 Intermediate Similarity NPC132990
0.8383 Intermediate Similarity NPC297404
0.8383 Intermediate Similarity NPC11608
0.8383 Intermediate Similarity NPC191930
0.8383 Intermediate Similarity NPC470735
0.8383 Intermediate Similarity NPC329647
0.8375 Intermediate Similarity NPC120171
0.8375 Intermediate Similarity NPC44378
0.8375 Intermediate Similarity NPC280753
0.8364 Intermediate Similarity NPC472962
0.8364 Intermediate Similarity NPC472961
0.8364 Intermediate Similarity NPC470810
0.8354 Intermediate Similarity NPC477833
0.8353 Intermediate Similarity NPC118128
0.8353 Intermediate Similarity NPC121333
0.8344 Intermediate Similarity NPC326910
0.8344 Intermediate Similarity NPC472890
0.8344 Intermediate Similarity NPC208173
0.8344 Intermediate Similarity NPC170189
0.8344 Intermediate Similarity NPC69043
0.8344 Intermediate Similarity NPC478230
0.8344 Intermediate Similarity NPC478221
0.8333 Intermediate Similarity NPC477517
0.8333 Intermediate Similarity NPC167903
0.8333 Intermediate Similarity NPC186746
0.8333 Intermediate Similarity NPC478220
0.8323 Intermediate Similarity NPC56204
0.8323 Intermediate Similarity NPC469619
0.8323 Intermediate Similarity NPC249181
0.8323 Intermediate Similarity NPC469670
0.8323 Intermediate Similarity NPC62354
0.8323 Intermediate Similarity NPC476931
0.8313 Intermediate Similarity NPC112816
0.8313 Intermediate Similarity NPC94781
0.8313 Intermediate Similarity NPC101043
0.8313 Intermediate Similarity NPC117985
0.8313 Intermediate Similarity NPC471103
0.8313 Intermediate Similarity NPC474239
0.8313 Intermediate Similarity NPC306799
0.8304 Intermediate Similarity NPC154986
0.8302 Intermediate Similarity NPC136878
0.8294 Intermediate Similarity NPC103307
0.8294 Intermediate Similarity NPC74559
0.8293 Intermediate Similarity NPC472050
0.8293 Intermediate Similarity NPC303255
0.8293 Intermediate Similarity NPC20530
0.8293 Intermediate Similarity NPC215917
0.8293 Intermediate Similarity NPC10754
0.8291 Intermediate Similarity NPC477409
0.8284 Intermediate Similarity NPC158761
0.8284 Intermediate Similarity NPC470456
0.8282 Intermediate Similarity NPC137301
0.8282 Intermediate Similarity NPC312482
0.8282 Intermediate Similarity NPC478231
0.8276 Intermediate Similarity NPC315221
0.8274 Intermediate Similarity NPC470457
0.8274 Intermediate Similarity NPC234052
0.8272 Intermediate Similarity NPC70016
0.8272 Intermediate Similarity NPC471229
0.8272 Intermediate Similarity NPC470569
0.8272 Intermediate Similarity NPC215921
0.8269 Intermediate Similarity NPC136649
0.8263 Intermediate Similarity NPC211107
0.8263 Intermediate Similarity NPC473961
0.8263 Intermediate Similarity NPC472964
0.8263 Intermediate Similarity NPC215612
0.8261 Intermediate Similarity NPC89442
0.8256 Intermediate Similarity NPC294149
0.8253 Intermediate Similarity NPC470183
0.8253 Intermediate Similarity NPC472902
0.8253 Intermediate Similarity NPC188649
0.8253 Intermediate Similarity NPC471976
0.825 Intermediate Similarity NPC469425
0.8246 Intermediate Similarity NPC294501
0.8246 Intermediate Similarity NPC472620
0.8242 Intermediate Similarity NPC179732
0.8242 Intermediate Similarity NPC478225
0.8242 Intermediate Similarity NPC302258
0.8239 Intermediate Similarity NPC478019
0.8239 Intermediate Similarity NPC30890
0.8235 Intermediate Similarity NPC286074
0.8235 Intermediate Similarity NPC242395
0.8235 Intermediate Similarity NPC152477
0.8235 Intermediate Similarity NPC222455
0.8235 Intermediate Similarity NPC188079
0.8235 Intermediate Similarity NPC54903
0.8232 Intermediate Similarity NPC478161
0.8232 Intermediate Similarity NPC317585
0.8232 Intermediate Similarity NPC478159
0.8229 Intermediate Similarity NPC182693
0.8229 Intermediate Similarity NPC313452
0.8228 Intermediate Similarity NPC127857
0.8225 Intermediate Similarity NPC235610
0.8225 Intermediate Similarity NPC173292
0.8225 Intermediate Similarity NPC469394
0.8225 Intermediate Similarity NPC470462
0.8221 Intermediate Similarity NPC216035
0.8221 Intermediate Similarity NPC115249
0.8221 Intermediate Similarity NPC184284
0.8221 Intermediate Similarity NPC171651
0.8221 Intermediate Similarity NPC35567
0.8221 Intermediate Similarity NPC243171
0.8221 Intermediate Similarity NPC217149
0.8221 Intermediate Similarity NPC474843
0.8221 Intermediate Similarity NPC478224
0.8221 Intermediate Similarity NPC275878
0.8221 Intermediate Similarity NPC76041
0.8221 Intermediate Similarity NPC210597
0.8218 Intermediate Similarity NPC244903
0.8214 Intermediate Similarity NPC474240
0.8214 Intermediate Similarity NPC134047
0.8214 Intermediate Similarity NPC41301
0.8214 Intermediate Similarity NPC121995
0.8214 Intermediate Similarity NPC272750
0.8214 Intermediate Similarity NPC476822
0.8214 Intermediate Similarity NPC470459
0.8214 Intermediate Similarity NPC173729
0.8214 Intermediate Similarity NPC223006
0.821 Intermediate Similarity NPC147735
0.821 Intermediate Similarity NPC470568
0.821 Intermediate Similarity NPC267117
0.821 Intermediate Similarity NPC255641
0.821 Intermediate Similarity NPC290954
0.8205 Intermediate Similarity NPC477408
0.8205 Intermediate Similarity NPC114620
0.8205 Intermediate Similarity NPC103337
0.8204 Intermediate Similarity NPC3629
0.8204 Intermediate Similarity NPC471499
0.8204 Intermediate Similarity NPC288602
0.8204 Intermediate Similarity NPC269117
0.8204 Intermediate Similarity NPC96031
0.8204 Intermediate Similarity NPC308992
0.8204 Intermediate Similarity NPC311740
0.8204 Intermediate Similarity NPC88841
0.8202 Intermediate Similarity NPC314672
0.8199 Intermediate Similarity NPC191634

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316457 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
0.8503 High Similarity NPD3751 Discontinued
0.8485 Intermediate Similarity NPD3787 Discontinued
0.8295 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD4380 Phase 2
0.8061 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8059 Intermediate Similarity NPD6166 Phase 2
0.8059 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8059 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD7075 Discontinued
0.8012 Intermediate Similarity NPD3817 Phase 2
0.8012 Intermediate Similarity NPD5402 Approved
0.8012 Intermediate Similarity NPD7473 Discontinued
0.8 Intermediate Similarity NPD6801 Discontinued
0.7966 Intermediate Similarity NPD8150 Discontinued
0.7966 Intermediate Similarity NPD8434 Phase 2
0.7964 Intermediate Similarity NPD3882 Suspended
0.7952 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD7819 Suspended
0.7941 Intermediate Similarity NPD6232 Discontinued
0.7929 Intermediate Similarity NPD5494 Approved
0.7919 Intermediate Similarity NPD5844 Phase 1
0.7892 Intermediate Similarity NPD1934 Approved
0.788 Intermediate Similarity NPD6778 Approved
0.788 Intermediate Similarity NPD6781 Approved
0.788 Intermediate Similarity NPD6776 Approved
0.788 Intermediate Similarity NPD6779 Approved
0.788 Intermediate Similarity NPD6780 Approved
0.788 Intermediate Similarity NPD6782 Approved
0.788 Intermediate Similarity NPD6777 Approved
0.7879 Intermediate Similarity NPD6599 Discontinued
0.7849 Intermediate Similarity NPD7435 Discontinued
0.7844 Intermediate Similarity NPD2801 Approved
0.784 Intermediate Similarity NPD6799 Approved
0.7809 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6959 Discontinued
0.7759 Intermediate Similarity NPD3818 Discontinued
0.7751 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD6797 Phase 2
0.7716 Intermediate Similarity NPD6190 Approved
0.7714 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD3226 Approved
0.7706 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD5403 Approved
0.7692 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD7251 Discontinued
0.7683 Intermediate Similarity NPD5401 Approved
0.766 Intermediate Similarity NPD7698 Approved
0.766 Intermediate Similarity NPD7696 Phase 3
0.766 Intermediate Similarity NPD7697 Approved
0.764 Intermediate Similarity NPD7808 Phase 3
0.7636 Intermediate Similarity NPD1512 Approved
0.7627 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD2796 Approved
0.7619 Intermediate Similarity NPD7871 Phase 2
0.7619 Intermediate Similarity NPD7870 Phase 2
0.7609 Intermediate Similarity NPD6534 Approved
0.7609 Intermediate Similarity NPD6535 Approved
0.7604 Intermediate Similarity NPD7874 Approved
0.7604 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD8312 Approved
0.7598 Intermediate Similarity NPD8313 Approved
0.7592 Intermediate Similarity NPD7701 Phase 2
0.7582 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD2533 Approved
0.7576 Intermediate Similarity NPD2534 Approved
0.7576 Intermediate Similarity NPD2532 Approved
0.7576 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD37 Approved
0.7571 Intermediate Similarity NPD7074 Phase 3
0.7565 Intermediate Similarity NPD7801 Approved
0.7562 Intermediate Similarity NPD1510 Phase 2
0.7546 Intermediate Similarity NPD4628 Phase 3
0.7544 Intermediate Similarity NPD4965 Approved
0.7544 Intermediate Similarity NPD4966 Approved
0.7544 Intermediate Similarity NPD4967 Phase 2
0.7531 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD1549 Phase 2
0.7515 Intermediate Similarity NPD1511 Approved
0.7515 Intermediate Similarity NPD7411 Suspended
0.7514 Intermediate Similarity NPD7054 Approved
0.7487 Intermediate Similarity NPD7699 Phase 2
0.7487 Intermediate Similarity NPD7700 Phase 2
0.7486 Intermediate Similarity NPD6559 Discontinued
0.7486 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD7472 Approved
0.7471 Intermediate Similarity NPD1247 Approved
0.7469 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD2346 Discontinued
0.7457 Intermediate Similarity NPD6234 Discontinued
0.7438 Intermediate Similarity NPD1607 Approved
0.7435 Intermediate Similarity NPD8319 Approved
0.7435 Intermediate Similarity NPD8320 Phase 1
0.7427 Intermediate Similarity NPD5761 Phase 2
0.7427 Intermediate Similarity NPD5760 Phase 2
0.7421 Intermediate Similarity NPD1240 Approved
0.7421 Intermediate Similarity NPD6823 Phase 2
0.7407 Intermediate Similarity NPD2935 Discontinued
0.7396 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD3926 Phase 2
0.7378 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7199 Phase 2
0.7346 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD1465 Phase 2
0.7301 Intermediate Similarity NPD6100 Approved
0.7301 Intermediate Similarity NPD6099 Approved
0.7299 Intermediate Similarity NPD3749 Approved
0.7293 Intermediate Similarity NPD7685 Pre-registration
0.7293 Intermediate Similarity NPD8368 Discontinued
0.7278 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7228 Approved
0.7263 Intermediate Similarity NPD8285 Discontinued
0.7262 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD919 Approved
0.7256 Intermediate Similarity NPD5763 Approved
0.7256 Intermediate Similarity NPD1471 Phase 3
0.7256 Intermediate Similarity NPD5762 Approved
0.7247 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD3300 Phase 2
0.7239 Intermediate Similarity NPD2799 Discontinued
0.7239 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD3750 Approved
0.7228 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD6273 Approved
0.7216 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD7390 Discontinued
0.7197 Intermediate Similarity NPD1470 Approved
0.7194 Intermediate Similarity NPD8151 Discontinued
0.7193 Intermediate Similarity NPD7458 Discontinued
0.7188 Intermediate Similarity NPD6798 Discontinued
0.7175 Intermediate Similarity NPD8127 Discontinued
0.7174 Intermediate Similarity NPD8407 Phase 2
0.716 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6355 Discontinued
0.7159 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD6233 Phase 2
0.7143 Intermediate Similarity NPD7768 Phase 2
0.7143 Intermediate Similarity NPD7236 Approved
0.7134 Intermediate Similarity NPD3748 Approved
0.7126 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD8435 Approved
0.7104 Intermediate Similarity NPD7240 Approved
0.7104 Intermediate Similarity NPD6765 Approved
0.7104 Intermediate Similarity NPD6764 Approved
0.7099 Intermediate Similarity NPD943 Approved
0.7099 Intermediate Similarity NPD4060 Phase 1
0.709 Intermediate Similarity NPD6212 Phase 3
0.709 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD6213 Phase 3
0.7081 Intermediate Similarity NPD2313 Discontinued
0.7072 Intermediate Similarity NPD7799 Discontinued
0.7068 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD2800 Approved
0.7056 Intermediate Similarity NPD2403 Approved
0.7055 Intermediate Similarity NPD230 Phase 1
0.7055 Intermediate Similarity NPD447 Suspended
0.7051 Intermediate Similarity NPD1201 Approved
0.7047 Intermediate Similarity NPD4580 Approved
0.7044 Intermediate Similarity NPD4111 Phase 1
0.7039 Intermediate Similarity NPD5710 Approved
0.7039 Intermediate Similarity NPD5711 Approved
0.7039 Intermediate Similarity NPD7229 Phase 3
0.7035 Intermediate Similarity NPD7783 Phase 2
0.7035 Intermediate Similarity NPD7239 Suspended
0.7035 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7033 Discontinued
0.7024 Intermediate Similarity NPD7003 Approved
0.7021 Intermediate Similarity NPD8361 Approved
0.7021 Intermediate Similarity NPD8360 Approved
0.7012 Intermediate Similarity NPD6651 Approved
0.7011 Intermediate Similarity NPD5030 Phase 2
0.7006 Intermediate Similarity NPD2424 Discontinued
0.7 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2651 Approved
0.6994 Remote Similarity NPD2649 Approved
0.699 Remote Similarity NPD4583 Approved
0.699 Remote Similarity NPD4582 Approved
0.6988 Remote Similarity NPD2438 Suspended
0.6988 Remote Similarity NPD1551 Phase 2
0.6979 Remote Similarity NPD2974 Approved
0.6979 Remote Similarity NPD2975 Approved
0.6979 Remote Similarity NPD2973 Approved
0.6977 Remote Similarity NPD920 Approved
0.6976 Remote Similarity NPD7907 Approved
0.6975 Remote Similarity NPD3764 Approved
0.6975 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6973 Remote Similarity NPD5034 Approved
0.6973 Remote Similarity NPD36 Approved
0.6973 Remote Similarity NPD4954 Approved
0.6973 Remote Similarity NPD4955 Approved
0.6973 Remote Similarity NPD5028 Approved
0.6973 Remote Similarity NPD5026 Approved
0.6971 Remote Similarity NPD6844 Discontinued
0.6964 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4665 Approved

Structure

External Identifiers

PubChem CID   403671
ChEMBL   CHEMBL588946
ZINC  

Physicochemical Properties

Molecular Weight:  420.14
ALogP:  -3.349
MLogP:  2.78
XLogP:  -1.205
# Rotatable Bonds:  11
Polar Surface Area:  138.35
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  30

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Structure MOL file  
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Biological Activities  
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