Natural Product: NPC210330

Natural Product ID:  NPC210330
Common Name:   Prismatomerin
IUPAC Name:  
Synonyms:   Prismatomerin
Molecular Formula:   C20H16O7
Standard InCHIKey:  CAASUWFDLSGDTI-WEZSCGFBSA-N
Standard InCHI:  InChI=1S/C20H16O7/c1-24-17(22)14-9-25-19-15-12(14)6-7-20(15)16(26-19)13(18(23)27-20)8-10-2-4-11(21)5-3-10/h2-9,12,15-16,19,21H,1H3/b13-8+/t12-,15-,16+,19-,20+/m1/s1
Canonical SMILES:  COC(=O)C1=CO[C@H]2[C@H]3[C@@H]1C=C[C@@]13OC(=O)/C(=C/c3ccc(cc3)O)/[C@@H]1O2
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
NPO6568 Prismatomeris tetrandra Species Rubiaceae Eukaryota PMID[17665951]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 436.52 nM 15043411
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 501.19 nM 14640534
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 165.96 nM 14640534
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 316.23 nM 14640534
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 > 10 nM 14640534
NPT403 Cell Line UACC-257 Homo sapiens GI50 = 144.54 nM 14640534
NPT380 Cell Line U-251 Homo sapiens GI50 = 295.12 nM 16562843
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 20.89 nM 16562843
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 134.9 nM 17900165
NPT387 Cell Line M14 Homo sapiens GI50 = 162.18 nM 16309317
NPT384 Cell Line TK-10 Homo sapiens GI50 = 288.4 nM 25278237
NPT368 Cell Line SN12C Homo sapiens GI50 = 173.78 nM 25278237
NPT306 Cell Line PC-3 Homo sapiens GI50 = 169.82 nM 25278237
NPT396 Cell Line T47D Homo sapiens GI50 = 380.19 nM 19006372
NPT457 Cell Line BT-549 Homo sapiens GI50 = 151.36 nM 19006372
NPT404 Cell Line CCRF-CEM Homo sapiens LC50 > 100000 nM 19006372
NPT111 Cell Line K562 Homo sapiens LC50 > 100000 nM 19006372
NPT116 Cell Line HL-60 Homo sapiens LC50 > 100000 nM 19006372
NPT371 Cell Line UO-31 Homo sapiens GI50 = 120.23 nM 12444684
NPT2 Others Unspecified LC50 = 1698.24 nM 18986200
NPT380 Cell Line U-251 Homo sapiens LC50 = 60255.96 nM 20627740
NPT383 Cell Line SNB-19 Homo sapiens LC50 = 26915.35 nM 20627740
NPT392 Cell Line SNB-75 Homo sapiens LC50 > 100000 nM 20627740
NPT170 Cell Line SK-MEL-28 Homo sapiens LC50 > 100000 nM 17190442
NPT375 Cell Line Malme-3M Homo sapiens LC50 = 4677.35 nM 17190442
NPT403 Cell Line UACC-257 Homo sapiens LC50 = 10000 nM 17190442
NPT406 Cell Line RXF 393 Homo sapiens LC50 = 660.69 nM 17548494
NPT323 Cell Line SW-620 Homo sapiens GI50 > 10 nM DrugMatrix in vitro pharmacology data
NPT368 Cell Line SN12C Homo sapiens TGI = 380.19 nM 20045651
NPT370 Cell Line NCI-H23 Homo sapiens LC50 = 933.25 nM 17896816
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 346.74 nM 25747495
NPT374 Cell Line SF-539 Homo sapiens GI50 = 257.04 nM 25747495
NPT399 Cell Line SF-295 Homo sapiens GI50 = 588.84 nM 25747495
NPT395 Cell Line SF-268 Homo sapiens GI50 = 263.03 nM 25681711
NPT139 Cell Line HT-29 Homo sapiens GI50 = 107.15 nM 25730346
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 162.18 nM 25747495
NPT393 Cell Line HCT-116 Homo sapiens GI50 > 10 nM 25747495
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 537.03 nM 25747495
NPT394 Cell Line EKVX Homo sapiens LC50 = 40738.03 nM 6699880
NPT379 Cell Line HOP-62 Homo sapiens LC50 = 2818.38 nM 6699880
NPT405 Cell Line NCI-H226 Homo sapiens LC50 = 22908.68 nM 10212121
NPT389 Cell Line RPMI-8226 Homo sapiens LC50 > 100000 nM 10212121
NPT385 Cell Line SR Homo sapiens LC50 > 100000 nM 10888331
NPT81 Cell Line A549 Homo sapiens LC50 > 100000 nM 10888331
NPT2 Others Unspecified LC50 = 24547.09 nM 10888331
NPT397 Cell Line NCI-H460 Homo sapiens LC50 > 100000 nM 14667232
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 > 10 nM 17049251
NPT385 Cell Line SR Homo sapiens GI50 = 10.47 nM 17049251
NPT381 Cell Line OVCAR-8 Homo sapiens LC50 = 2238.72 nM 9784179
NPT382 Cell Line OVCAR-5 Homo sapiens LC50 = 812.83 nM 9584409
NPT376 Cell Line A498 Homo sapiens LC50 = 870.96 nM 9584409
NPT401 Cell Line 786-0 Homo sapiens LC50 = 549.54 nM 9584409
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 > 100000 nM 9584409
NPT398 Cell Line UACC-62 Homo sapiens LC50 = 575.44 nM 9584409
NPT456 Cell Line OVCAR-4 Homo sapiens LC50 > 100000 nM 26083682
NPT308 Cell Line CAKI-1 Homo sapiens LC50 = 8709.64 nM 26083682
NPT369 Cell Line ACHN Homo sapiens LC50 = 2089.3 nM 26083682
NPT407 Cell Line COLO 205 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 = 120.23 nM 9213587
NPT458 Cell Line IGROV-1 Homo sapiens TGI = 371.54 nM 19216517
NPT2 Others Unspecified TGI = 562.34 nM 19216517
NPT390 Cell Line LOX IMVI Homo sapiens TGI = 239.88 nM 19216517
NPT373 Cell Line SK-MEL-5 Homo sapiens TGI = 186.21 nM 19216517
NPT383 Cell Line SNB-19 Homo sapiens TGI = 109647.82 nM 19216517
NPT380 Cell Line U-251 Homo sapiens TGI = 954.99 nM 19216517
NPT374 Cell Line SF-539 Homo sapiens TGI = 457.09 nM 23822585
NPT456 Cell Line OVCAR-4 Homo sapiens TGI = 3467.37 nM 23822585
NPT382 Cell Line OVCAR-5 Homo sapiens TGI = 407.38 nM 19388709
NPT81 Cell Line A549 Homo sapiens IC50 = 1410 nM 18053715
NPT111 Cell Line K562 Homo sapiens GI50 > 10 nM 17696332
NPT81 Cell Line A549 Homo sapiens GI50 = 295.12 nM 9514009
NPT394 Cell Line EKVX Homo sapiens GI50 = 354.81 nM 9514009
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 186.21 nM 9514009
NPT2 Others Unspecified GI50 = 1949.84 nM 9514009
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 263.03 nM 9514009
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 173.78 nM 9514009
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 239.88 nM 9514009
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 186.21 nM 9514009
NPT395 Cell Line SF-268 Homo sapiens LC50 = 63095.73 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens LC50 = 3801.89 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens LC50 = 1348.96 nM PubChem BioAssay data set
NPT1460 Cell Line L929 Mus musculus IC50 = 210 nM 18505859
NPT402 Cell Line Hs-578T Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens LC50 = 812.83 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens LC50 = 3981.07 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens LC50 = 812.83 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens LC50 = 3019.95 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 410 nM 18288806
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 162.18 nM 18951808
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 = 169.82 nM 18951808
NPT390 Cell Line LOX IMVI Homo sapiens LC50 = 707.95 nM 11412982
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 575.44 nM 9514009
NPT146 Cell Line SK-OV-3 Homo sapiens TGI = 3162.28 nM 17844994
NPT381 Cell Line OVCAR-8 Homo sapiens TGI = 501.19 nM 17844994
NPT376 Cell Line A498 Homo sapiens TGI = 457.09 nM 17844994
NPT401 Cell Line 786-0 Homo sapiens TGI = 194.98 nM 17844994
NPT406 Cell Line RXF 393 Homo sapiens TGI = 162.18 nM 17844994
NPT308 Cell Line CAKI-1 Homo sapiens TGI = 501.19 nM 17844994
NPT83 Cell Line MCF7 Homo sapiens TGI = 1000 nM 17844994
NPT116 Cell Line HL-60 Homo sapiens GI50 > 10 nM DrugMatrix in vitro pharmacology data
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 38.02 nM DrugMatrix in vitro pharmacology data
NPT402 Cell Line Hs-578T Homo sapiens GI50 = 257.04 nM Open TG-GATES in vivo data: Biochemistry
NPT458 Cell Line IGROV-1 Homo sapiens LC50 = 851.14 nM 19035792
NPT386 Cell Line KM12 Homo sapiens TGI = 1513.56 nM 16309305
NPT148 Cell Line HCT-15 Homo sapiens TGI = 575.44 nM 22168134
NPT81 Cell Line A549 Homo sapiens TGI = 831.76 nM 22168134
NPT385 Cell Line SR Homo sapiens TGI = 467.74 nM 15974608
NPT396 Cell Line T47D Homo sapiens LC50 = 3890.45 nM 15730245
NPT393 Cell Line HCT-116 Homo sapiens TGI = 100 nM 15730245
NPT2 Others Unspecified TGI = 5370.32 nM 17844994
NPT405 Cell Line NCI-H226 Homo sapiens TGI = 478.63 nM 17844994
NPT379 Cell Line HOP-62 Homo sapiens TGI = 707.95 nM 17844994
NPT660 Cell Line SW480 Homo sapiens IC50 = 60 nM 23066712
NPT112 Cell Line MOLT-4 Homo sapiens GI50 > 10 nM 25264585
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 = 851.14 nM 10869203
NPT378 Cell Line NCI/ADR-RES Homo sapiens LC50 = 17378.01 nM 11421752
NPT386 Cell Line KM12 Homo sapiens GI50 = 302 nM 17125224
NPT140 Organism Artemia Artemia LD50 = 195 nM 11421746
NPT308 Cell Line CAKI-1 Homo sapiens GI50 = 125.89 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 > 10 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 = 234.42 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 > 10 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 912.01 nM 20553011
NPT401 Cell Line 786-0 Homo sapiens GI50 = 19.5 nM 20843939
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 173.78 nM 20014752
NPT395 Cell Line SF-268 Homo sapiens TGI = 758.58 nM 23865778
NPT90 Cell Line DU-145 Homo sapiens GI50 = 114.82 nM 23734701
NPT2 Others Unspecified GI50 = 199.53 nM 23734701
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 257.04 nM DrugMatrix in vivo data: Biochemistry
NPT2 Others Unspecified GI50 = 489.78 nM DrugMatrix in vivo data: Biochemistry

  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 NPC210330 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
0.9231 High Similarity NPC474268
0.9231 High Similarity NPC119773
0.9231 High Similarity NPC143246
0.9231 High Similarity NPC475539
0.9161 High Similarity NPC475528
0.9133 High Similarity NPC76211
0.9103 High Similarity NPC473428
0.8958 High Similarity NPC63304
0.8919 High Similarity NPC474620
0.875 High Similarity NPC475378
0.8725 High Similarity NPC240592
0.8725 High Similarity NPC117346
0.8707 High Similarity NPC473147
0.8699 High Similarity NPC202391
0.8699 High Similarity NPC296659
0.8658 High Similarity NPC96599
0.8611 High Similarity NPC220936
0.8611 High Similarity NPC31745
0.8581 High Similarity NPC212808
0.8571 High Similarity NPC286919
0.8571 High Similarity NPC475663
0.8543 High Similarity NPC158546
0.8543 High Similarity NPC289021
0.8516 High Similarity NPC469384
0.8511 High Similarity NPC281798
0.8503 High Similarity NPC186296
0.8493 Intermediate Similarity NPC159387
0.8493 Intermediate Similarity NPC137501
0.8493 Intermediate Similarity NPC7518
0.8493 Intermediate Similarity NPC154262
0.8472 Intermediate Similarity NPC472132
0.8446 Intermediate Similarity NPC473281
0.8446 Intermediate Similarity NPC194938
0.8446 Intermediate Similarity NPC77922
0.8418 Intermediate Similarity NPC91288
0.8411 Intermediate Similarity NPC161955
0.8369 Intermediate Similarity NPC214246
0.8365 Intermediate Similarity NPC180586
0.8355 Intermediate Similarity NPC35097
0.8344 Intermediate Similarity NPC189631
0.8344 Intermediate Similarity NPC218471
0.8344 Intermediate Similarity NPC239818
0.8333 Intermediate Similarity NPC169398
0.8323 Intermediate Similarity NPC475484
0.8322 Intermediate Similarity NPC251062
0.8322 Intermediate Similarity NPC184464
0.8322 Intermediate Similarity NPC15743
0.8301 Intermediate Similarity NPC475379
0.8291 Intermediate Similarity NPC477627
0.8289 Intermediate Similarity NPC478234
0.8289 Intermediate Similarity NPC478236
0.8278 Intermediate Similarity NPC473149
0.8264 Intermediate Similarity NPC114116
0.8255 Intermediate Similarity NPC475213
0.8255 Intermediate Similarity NPC152796
0.8255 Intermediate Similarity NPC293154
0.8255 Intermediate Similarity NPC478250
0.8231 Intermediate Similarity NPC220942
0.8224 Intermediate Similarity NPC120728
0.8212 Intermediate Similarity NPC473867
0.8212 Intermediate Similarity NPC208293
0.8212 Intermediate Similarity NPC3982
0.8205 Intermediate Similarity NPC254163
0.8194 Intermediate Similarity NPC323379
0.8194 Intermediate Similarity NPC308555
0.8194 Intermediate Similarity NPC327204
0.8187 Intermediate Similarity NPC471286
0.8176 Intermediate Similarity NPC293568
0.8176 Intermediate Similarity NPC117943
0.8163 Intermediate Similarity NPC65262
0.8163 Intermediate Similarity NPC469364
0.8163 Intermediate Similarity NPC101686
0.8163 Intermediate Similarity NPC308976
0.8153 Intermediate Similarity NPC478055
0.8146 Intermediate Similarity NPC223185
0.8138 Intermediate Similarity NPC477280
0.8138 Intermediate Similarity NPC477281
0.8138 Intermediate Similarity NPC19719
0.8129 Intermediate Similarity NPC56184
0.8129 Intermediate Similarity NPC478235
0.8129 Intermediate Similarity NPC194705
0.8125 Intermediate Similarity NPC254819
0.8121 Intermediate Similarity NPC51681
0.8117 Intermediate Similarity NPC267469
0.8117 Intermediate Similarity NPC35160
0.8117 Intermediate Similarity NPC87630
0.8117 Intermediate Similarity NPC179128
0.8117 Intermediate Similarity NPC116292
0.8117 Intermediate Similarity NPC162569
0.8113 Intermediate Similarity NPC43971
0.8113 Intermediate Similarity NPC19554
0.8113 Intermediate Similarity NPC74749
0.8112 Intermediate Similarity NPC469549
0.8095 Intermediate Similarity NPC470572
0.8089 Intermediate Similarity NPC186316
0.8086 Intermediate Similarity NPC469419
0.8085 Intermediate Similarity NPC79608
0.8077 Intermediate Similarity NPC229354
0.8071 Intermediate Similarity NPC236981
0.8067 Intermediate Similarity NPC296643
0.805 Intermediate Similarity NPC179914
0.8041 Intermediate Similarity NPC469696
0.8041 Intermediate Similarity NPC14022
0.8039 Intermediate Similarity NPC153620
0.8039 Intermediate Similarity NPC24257
0.8027 Intermediate Similarity NPC182217
0.8027 Intermediate Similarity NPC233350
0.8027 Intermediate Similarity NPC70680
0.8025 Intermediate Similarity NPC265600
0.8025 Intermediate Similarity NPC136757
0.8014 Intermediate Similarity NPC164172
0.8013 Intermediate Similarity NPC203664
0.8013 Intermediate Similarity NPC477699
0.8013 Intermediate Similarity NPC89317
0.8012 Intermediate Similarity NPC76687
0.8 Intermediate Similarity NPC69367
0.8 Intermediate Similarity NPC108553
0.8 Intermediate Similarity NPC469927
0.8 Intermediate Similarity NPC478255
0.8 Intermediate Similarity NPC469911
0.7987 Intermediate Similarity NPC226759
0.7987 Intermediate Similarity NPC329997
0.7987 Intermediate Similarity NPC104275
0.7987 Intermediate Similarity NPC4747
0.7987 Intermediate Similarity NPC49597
0.7975 Intermediate Similarity NPC469458
0.7975 Intermediate Similarity NPC469396
0.7975 Intermediate Similarity NPC469459
0.7975 Intermediate Similarity NPC88176
0.7975 Intermediate Similarity NPC149002
0.7974 Intermediate Similarity NPC320734
0.7973 Intermediate Similarity NPC471345
0.7972 Intermediate Similarity NPC45224
0.7972 Intermediate Similarity NPC156692
0.7972 Intermediate Similarity NPC471882
0.7972 Intermediate Similarity NPC35288
0.7972 Intermediate Similarity NPC173150
0.7972 Intermediate Similarity NPC471881
0.7963 Intermediate Similarity NPC109990
0.7963 Intermediate Similarity NPC120012
0.7959 Intermediate Similarity NPC68517
0.7958 Intermediate Similarity NPC476033
0.7949 Intermediate Similarity NPC32079
0.7949 Intermediate Similarity NPC164082
0.7949 Intermediate Similarity NPC477700
0.7947 Intermediate Similarity NPC307287
0.7945 Intermediate Similarity NPC471066
0.7945 Intermediate Similarity NPC471095
0.7937 Intermediate Similarity NPC50430
0.7935 Intermediate Similarity NPC145569
0.7935 Intermediate Similarity NPC477698
0.7935 Intermediate Similarity NPC216223
0.7933 Intermediate Similarity NPC77493
0.7931 Intermediate Similarity NPC17567
0.7922 Intermediate Similarity NPC470330
0.7919 Intermediate Similarity NPC166184
0.7917 Intermediate Similarity NPC469930
0.7914 Intermediate Similarity NPC294722
0.7911 Intermediate Similarity NPC472128
0.7911 Intermediate Similarity NPC476364
0.7911 Intermediate Similarity NPC472127
0.7911 Intermediate Similarity NPC478232
0.7908 Intermediate Similarity NPC109812
0.7908 Intermediate Similarity NPC473976
0.7908 Intermediate Similarity NPC313039
0.7908 Intermediate Similarity NPC131043
0.7908 Intermediate Similarity NPC198459
0.7904 Intermediate Similarity NPC469438
0.7902 Intermediate Similarity NPC61181
0.7901 Intermediate Similarity NPC476011
0.7901 Intermediate Similarity NPC145847
0.7895 Intermediate Similarity NPC242756
0.7892 Intermediate Similarity NPC148185
0.7891 Intermediate Similarity NPC254398
0.7891 Intermediate Similarity NPC215484
0.7891 Intermediate Similarity NPC322503
0.7891 Intermediate Similarity NPC470143
0.7888 Intermediate Similarity NPC138993
0.7888 Intermediate Similarity NPC208676
0.7888 Intermediate Similarity NPC130489
0.7885 Intermediate Similarity NPC88886
0.7885 Intermediate Similarity NPC12854
0.7885 Intermediate Similarity NPC12006
0.7885 Intermediate Similarity NPC32197
0.7885 Intermediate Similarity NPC104172
0.7881 Intermediate Similarity NPC282291
0.7881 Intermediate Similarity NPC46644
0.7881 Intermediate Similarity NPC477279
0.7881 Intermediate Similarity NPC166137
0.7875 Intermediate Similarity NPC187205
0.7875 Intermediate Similarity NPC223335
0.7875 Intermediate Similarity NPC40920
0.7875 Intermediate Similarity NPC478226
0.7872 Intermediate Similarity NPC52097
0.7871 Intermediate Similarity NPC243154
0.7867 Intermediate Similarity NPC62800
0.7867 Intermediate Similarity NPC324262
0.7862 Intermediate Similarity NPC172920
0.7862 Intermediate Similarity NPC156624
0.7862 Intermediate Similarity NPC38699

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC210330 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
0.7792 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6234 Discontinued
0.7605 Intermediate Similarity NPD3818 Discontinued
0.7597 Intermediate Similarity NPD4628 Phase 3
0.7593 Intermediate Similarity NPD4967 Phase 2
0.7593 Intermediate Similarity NPD4966 Approved
0.7593 Intermediate Similarity NPD4965 Approved
0.7568 Intermediate Similarity NPD3764 Approved
0.7558 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD6190 Approved
0.7529 Intermediate Similarity NPD7685 Pre-registration
0.7518 Intermediate Similarity NPD9545 Approved
0.7516 Intermediate Similarity NPD7266 Discontinued
0.7407 Intermediate Similarity NPD37 Approved
0.7396 Intermediate Similarity NPD7228 Approved
0.7386 Intermediate Similarity NPD7033 Discontinued
0.7372 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD230 Phase 1
0.7296 Intermediate Similarity NPD2533 Approved
0.7296 Intermediate Similarity NPD2534 Approved
0.7296 Intermediate Similarity NPD2532 Approved
0.7284 Intermediate Similarity NPD4380 Phase 2
0.7251 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7075 Discontinued
0.7225 Intermediate Similarity NPD6559 Discontinued
0.7222 Intermediate Similarity NPD7458 Discontinued
0.7205 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD7199 Phase 2
0.719 Intermediate Similarity NPD6355 Discontinued
0.7184 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6005 Phase 3
0.7179 Intermediate Similarity NPD6004 Phase 3
0.7179 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6002 Phase 3
0.7161 Intermediate Similarity NPD1510 Phase 2
0.7152 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7054 Approved
0.7125 Intermediate Similarity NPD6799 Approved
0.7118 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD2935 Discontinued
0.711 Intermediate Similarity NPD7074 Phase 3
0.711 Intermediate Similarity NPD7472 Approved
0.7105 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6801 Discontinued
0.7089 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6599 Discontinued
0.7069 Intermediate Similarity NPD6797 Phase 2
0.7067 Intermediate Similarity NPD5647 Approved
0.7066 Intermediate Similarity NPD3882 Suspended
0.7066 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD2799 Discontinued
0.7048 Intermediate Similarity NPD8455 Phase 2
0.7045 Intermediate Similarity NPD8312 Approved
0.7045 Intermediate Similarity NPD8313 Approved
0.7029 Intermediate Similarity NPD7251 Discontinued
0.7029 Intermediate Similarity NPD7240 Approved
0.7027 Intermediate Similarity NPD1608 Approved
0.7025 Intermediate Similarity NPD1549 Phase 2
0.7024 Intermediate Similarity NPD3749 Approved
0.7013 Intermediate Similarity NPD1240 Approved
0.7006 Intermediate Similarity NPD2796 Approved
0.7 Intermediate Similarity NPD2797 Approved
0.6994 Remote Similarity NPD7799 Discontinued
0.6994 Remote Similarity NPD920 Approved
0.6993 Remote Similarity NPD3268 Approved
0.6989 Remote Similarity NPD7808 Phase 3
0.6988 Remote Similarity NPD1934 Approved
0.6987 Remote Similarity NPD7097 Phase 1
0.6987 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6975 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6962 Remote Similarity NPD2344 Approved
0.6961 Remote Similarity NPD7296 Approved
0.6959 Remote Similarity NPD6232 Discontinued
0.6954 Remote Similarity NPD2798 Approved
0.6951 Remote Similarity NPD1653 Approved
0.6948 Remote Similarity NPD6663 Approved
0.6948 Remote Similarity NPD6233 Phase 2
0.6946 Remote Similarity NPD7819 Suspended
0.6946 Remote Similarity NPD2801 Approved
0.6946 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6941 Remote Similarity NPD5494 Approved
0.6937 Remote Similarity NPD8166 Discontinued
0.6937 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6937 Remote Similarity NPD3750 Approved
0.6936 Remote Similarity NPD7473 Discontinued
0.6928 Remote Similarity NPD7411 Suspended
0.6928 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6927 Remote Similarity NPD8434 Phase 2
0.6923 Remote Similarity NPD1607 Approved
0.6905 Remote Similarity NPD3817 Phase 2
0.6905 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6901 Remote Similarity NPD969 Suspended
0.6897 Remote Similarity NPD9493 Approved
0.6897 Remote Similarity NPD3751 Discontinued
0.6883 Remote Similarity NPD6798 Discontinued
0.6879 Remote Similarity NPD2067 Discontinued
0.6875 Remote Similarity NPD2800 Approved
0.6871 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6871 Remote Similarity NPD642 Clinical (unspecified phase)
0.6871 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7028 Phase 2
0.6864 Remote Similarity NPD7768 Phase 2
0.6857 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6851 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6846 Remote Similarity NPD3705 Approved
0.6846 Remote Similarity NPD1091 Approved
0.6832 Remote Similarity NPD4110 Phase 3
0.6832 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6824 Remote Similarity NPD17 Approved
0.6816 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6653 Approved
0.6813 Remote Similarity NPD2424 Discontinued
0.6805 Remote Similarity NPD5402 Approved
0.6797 Remote Similarity NPD5736 Approved
0.6792 Remote Similarity NPD1551 Phase 2
0.679 Remote Similarity NPD2309 Approved
0.6788 Remote Similarity NPD5403 Approved
0.6782 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6774 Remote Similarity NPD2313 Discontinued
0.6772 Remote Similarity NPD7435 Discontinued
0.677 Remote Similarity NPD1243 Approved
0.6769 Remote Similarity NPD7930 Approved
0.6763 Remote Similarity NPD5711 Approved
0.6763 Remote Similarity NPD5710 Approved
0.6763 Remote Similarity NPD3787 Discontinued
0.6761 Remote Similarity NPD5844 Phase 1
0.6759 Remote Similarity NPD690 Clinical (unspecified phase)
0.6752 Remote Similarity NPD5124 Phase 1
0.6752 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6752 Remote Similarity NPD447 Suspended
0.675 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6748 Remote Similarity NPD643 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5761 Phase 2
0.6746 Remote Similarity NPD5760 Phase 2
0.674 Remote Similarity NPD8150 Discontinued
0.6738 Remote Similarity NPD1358 Approved
0.6737 Remote Similarity NPD8320 Phase 1
0.6737 Remote Similarity NPD8319 Approved
0.6733 Remote Similarity NPD422 Phase 1
0.6731 Remote Similarity NPD4062 Phase 3
0.6714 Remote Similarity NPD5048 Discontinued
0.6713 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6708 Remote Similarity NPD5958 Discontinued
0.6707 Remote Similarity NPD1511 Approved
0.6707 Remote Similarity NPD3226 Approved
0.6705 Remote Similarity NPD8127 Discontinued
0.6703 Remote Similarity NPD6534 Approved
0.6703 Remote Similarity NPD6535 Approved
0.6702 Remote Similarity NPD6777 Approved
0.6702 Remote Similarity NPD6781 Approved
0.6702 Remote Similarity NPD6779 Approved
0.6702 Remote Similarity NPD6780 Approved
0.6702 Remote Similarity NPD6778 Approved
0.6702 Remote Similarity NPD6782 Approved
0.6702 Remote Similarity NPD6776 Approved
0.6689 Remote Similarity NPD9717 Approved
0.6689 Remote Similarity NPD9269 Phase 2
0.6688 Remote Similarity NPD4060 Phase 1
0.6688 Remote Similarity NPD943 Approved
0.6688 Remote Similarity NPD9494 Approved
0.6687 Remote Similarity NPD2438 Suspended
0.6687 Remote Similarity NPD3887 Approved
0.6686 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6166 Phase 2
0.6686 Remote Similarity NPD919 Approved
0.6686 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6684 Remote Similarity NPD7680 Approved
0.6667 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3267 Approved
0.6667 Remote Similarity NPD3134 Approved
0.6667 Remote Similarity NPD3266 Approved
0.6667 Remote Similarity NPD1203 Approved
0.6667 Remote Similarity NPD5401 Approved
0.6667 Remote Similarity NPD1164 Approved
0.6667 Remote Similarity NPD7315 Approved
0.6667 Remote Similarity NPD7229 Phase 3
0.6649 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1933 Approved
0.6646 Remote Similarity NPD5058 Phase 3
0.6645 Remote Similarity NPD6832 Phase 2
0.6644 Remote Similarity NPD9268 Approved
0.6643 Remote Similarity NPD5909 Discontinued
0.6627 Remote Similarity NPD6385 Approved
0.6627 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6627 Remote Similarity NPD6273 Approved
0.6627 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6627 Remote Similarity NPD1512 Approved
0.6627 Remote Similarity NPD6386 Approved
0.6626 Remote Similarity NPD3400 Discontinued
0.6625 Remote Similarity NPD3748 Approved

Structure

External Identifiers

PubChem CID   23625548
ChEMBL   CHEMBL250261
ZINC  

Physicochemical Properties

Molecular Weight:  368.09
ALogP:  -0.9973
MLogP:  2.89
XLogP:  2.027
# Rotatable Bonds:  5
Polar Surface Area:  91.29
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  27

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