Natural Product: NPC315221

Natural Product ID:  NPC315221
Common Name:   4-(4,5-Dihydroxy-3-Methoxy-6-Methyloxan-2-Yl)Oxy-2,5,7-Trihydroxy-3,9-Dimethoxy-2-Methyl-3,4-Dihydrotetracene-1,6,11-Trione
IUPAC Name:   4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Synonyms:  
Molecular Formula:   C28H30O13
Standard InCHIKey:  HWMJTJZEJBSVCG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C28H30O13/c1-9-18(30)22(34)24(38-4)27(40-9)41-23-17-13(25(35)28(2,36)26(23)39-5)8-12-16(21(17)33)20(32)15-11(19(12)31)6-10(37-3)7-14(15)29/h6-9,18,22-24,26-27,29-30,33-34,36H,1-5H3
Canonical SMILES:  COC1C(OC(C(C1O)O)C)OC1c2c(O)c3c(cc2C(=O)C(C1OC)(C)O)C(=O)c1c(C3=O)c(O)cc(c1)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
NPO24126.9 Streptomyces albus j1074 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO27895 Streptomyces steffisburgensis Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli IC50 > 75000 nM 8176712
NPT368 Cell Line SN12C Homo sapiens GI50 1896.71 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 2060.63 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 2089.3 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 435.51 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 5000.35 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 1845.02 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 893.31 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 864.97 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 8053.78 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 2037.04 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 438.53 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 3819.44 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 3664.38 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 3475.36 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 3388.44 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 522.4 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 4425.88 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 644.17 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 2937.65 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 532.11 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 1081.43 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 2600.16 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 1927.52 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 3953.67 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 2404.36 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 7095.78 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 476.43 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1999.86 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 5662.39 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 3647.54 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 1096.48 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 3706.81 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 3572.73 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 4226.69 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 2317.39 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 841.4 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 2118.36 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 2540.97 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 2426.61 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 1610.65 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 3198.9 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 1377.21 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 1534.62 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 803.53 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 7585.78 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 1823.9 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 2523.48 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 722.77 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 3758.37 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 2218.2 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 9246.98 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 3475.36 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 1172.2 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 2606.15 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 1218.99 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 760.33 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 2421.03 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 5164.16 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 NPC315221 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
0.994 High Similarity NPC313452
0.9521 High Similarity NPC294501
0.9464 High Similarity NPC472054
0.9461 High Similarity NPC478021
0.9405 High Similarity NPC271385
0.9405 High Similarity NPC5029
0.9405 High Similarity NPC76128
0.9405 High Similarity NPC30432
0.9405 High Similarity NPC111536
0.9357 High Similarity NPC153578
0.9357 High Similarity NPC277710
0.9357 High Similarity NPC299149
0.9357 High Similarity NPC114257
0.9353 High Similarity NPC46958
0.9353 High Similarity NPC475246
0.9353 High Similarity NPC475233
0.9294 High Similarity NPC3718
0.9294 High Similarity NPC68381
0.9244 High Similarity NPC212290
0.9235 High Similarity NPC98776
0.9222 High Similarity NPC478022
0.9222 High Similarity NPC478020
0.92 High Similarity NPC105591
0.9191 High Similarity NPC477860
0.9191 High Similarity NPC475161
0.9181 High Similarity NPC146803
0.9181 High Similarity NPC474345
0.9172 High Similarity NPC222455
0.9143 High Similarity NPC87583
0.9123 High Similarity NPC470336
0.9123 High Similarity NPC470335
0.9123 High Similarity NPC85368
0.9118 High Similarity NPC298778
0.9101 High Similarity NPC314459
0.9101 High Similarity NPC470199
0.9096 High Similarity NPC314672
0.9075 High Similarity NPC470334
0.9059 High Similarity NPC175477
0.9059 High Similarity NPC259905
0.9053 High Similarity NPC178851
0.9012 High Similarity NPC199357
0.9012 High Similarity NPC213052
0.9 High Similarity NPC470198
0.9 High Similarity NPC316274
0.9 High Similarity NPC470196
0.9 High Similarity NPC470200
0.9 High Similarity NPC470194
0.9 High Similarity NPC470197
0.9 High Similarity NPC282474
0.9 High Similarity NPC470193
0.9 High Similarity NPC470195
0.8971 High Similarity NPC208069
0.8953 High Similarity NPC473113
0.8933 High Similarity NPC205721
0.892 High Similarity NPC473717
0.892 High Similarity NPC293227
0.892 High Similarity NPC473631
0.892 High Similarity NPC475662
0.8914 High Similarity NPC72783
0.8902 High Similarity NPC203751
0.8889 High Similarity NPC105414
0.8889 High Similarity NPC324522
0.8889 High Similarity NPC234497
0.8889 High Similarity NPC472058
0.8889 High Similarity NPC470341
0.8882 High Similarity NPC472049
0.8876 High Similarity NPC278329
0.8876 High Similarity NPC101116
0.8876 High Similarity NPC212099
0.8876 High Similarity NPC146837
0.8851 High Similarity NPC108202
0.8851 High Similarity NPC470454
0.8851 High Similarity NPC70862
0.8851 High Similarity NPC186800
0.8851 High Similarity NPC470667
0.8851 High Similarity NPC199533
0.8851 High Similarity NPC63105
0.8837 High Similarity NPC473202
0.8824 High Similarity NPC183672
0.882 High Similarity NPC221140
0.882 High Similarity NPC229817
0.882 High Similarity NPC475352
0.882 High Similarity NPC475220
0.882 High Similarity NPC473686
0.8807 High Similarity NPC84494
0.8807 High Similarity NPC245059
0.88 High Similarity NPC289876
0.88 High Similarity NPC102053
0.8793 High Similarity NPC154986
0.8786 High Similarity NPC470580
0.8772 High Similarity NPC329647
0.8772 High Similarity NPC470735
0.8772 High Similarity NPC178281
0.8765 High Similarity NPC131745
0.8765 High Similarity NPC259834
0.8765 High Similarity NPC216752
0.8757 High Similarity NPC265795
0.8757 High Similarity NPC470448
0.8757 High Similarity NPC470452
0.8757 High Similarity NPC470453
0.8757 High Similarity NPC284495
0.8757 High Similarity NPC472055
0.8757 High Similarity NPC164047
0.8743 High Similarity NPC314738
0.8743 High Similarity NPC109403
0.8743 High Similarity NPC261012
0.8743 High Similarity NPC470583
0.8743 High Similarity NPC19056
0.8743 High Similarity NPC294629
0.8736 High Similarity NPC270027
0.8736 High Similarity NPC183441
0.8729 High Similarity NPC48474
0.8729 High Similarity NPC264302
0.8728 High Similarity NPC191653
0.8728 High Similarity NPC469486
0.8728 High Similarity NPC264063
0.8721 High Similarity NPC477835
0.8713 High Similarity NPC179198
0.8713 High Similarity NPC66087
0.8713 High Similarity NPC278419
0.8701 High Similarity NPC58538
0.8698 High Similarity NPC324736
0.8698 High Similarity NPC470339
0.8686 High Similarity NPC229051
0.8678 High Similarity NPC8704
0.8678 High Similarity NPC150767
0.8678 High Similarity NPC287884
0.8678 High Similarity NPC78734
0.8675 High Similarity NPC470569
0.8671 High Similarity NPC63470
0.8671 High Similarity NPC107009
0.8671 High Similarity NPC473094
0.8671 High Similarity NPC477502
0.8671 High Similarity NPC474024
0.8663 High Similarity NPC472057
0.8663 High Similarity NPC472051
0.8659 High Similarity NPC231254
0.8655 High Similarity NPC97637
0.8655 High Similarity NPC44947
0.8655 High Similarity NPC187934
0.8652 High Similarity NPC85316
0.8652 High Similarity NPC197357
0.8649 High Similarity NPC131405
0.8647 High Similarity NPC470810
0.8647 High Similarity NPC472320
0.8647 High Similarity NPC470358
0.8644 High Similarity NPC217387
0.8644 High Similarity NPC477683
0.8644 High Similarity NPC266513
0.8644 High Similarity NPC293626
0.8644 High Similarity NPC258044
0.8644 High Similarity NPC196127
0.8644 High Similarity NPC470581
0.8644 High Similarity NPC477682
0.8644 High Similarity NPC267680
0.8644 High Similarity NPC35167
0.8644 High Similarity NPC207467
0.8644 High Similarity NPC47191
0.8644 High Similarity NPC115447
0.8644 High Similarity NPC470582
0.8644 High Similarity NPC168584
0.8639 High Similarity NPC208651
0.8639 High Similarity NPC263483
0.8639 High Similarity NPC23817
0.8639 High Similarity NPC201127
0.8639 High Similarity NPC206641
0.8639 High Similarity NPC6985
0.8636 High Similarity NPC245975
0.8636 High Similarity NPC477991
0.8636 High Similarity NPC477992
0.8634 High Similarity NPC316412
0.8634 High Similarity NPC314020
0.8634 High Similarity NPC315351
0.8631 High Similarity NPC68727
0.8629 High Similarity NPC256760
0.8629 High Similarity NPC477836
0.8629 High Similarity NPC476772
0.8623 High Similarity NPC470338
0.8623 High Similarity NPC180944
0.8623 High Similarity NPC268992
0.8623 High Similarity NPC113608
0.8623 High Similarity NPC470337
0.8623 High Similarity NPC51824
0.8621 High Similarity NPC473096
0.8621 High Similarity NPC270578
0.8621 High Similarity NPC5319
0.8621 High Similarity NPC227508
0.8621 High Similarity NPC52382
0.8621 High Similarity NPC229687
0.8621 High Similarity NPC473095
0.8614 High Similarity NPC470568
0.8614 High Similarity NPC147735
0.8613 High Similarity NPC135599
0.8613 High Similarity NPC113968
0.8613 High Similarity NPC277174
0.8613 High Similarity NPC73855
0.8613 High Similarity NPC328940
0.8613 High Similarity NPC178173
0.8605 High Similarity NPC257566
0.8605 High Similarity NPC124155

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315221 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
0.9091 High Similarity NPD7879 Clinical (unspecified phase)
0.8743 High Similarity NPD6782 Approved
0.8743 High Similarity NPD6779 Approved
0.8743 High Similarity NPD6776 Approved
0.8743 High Similarity NPD6777 Approved
0.8743 High Similarity NPD6780 Approved
0.8743 High Similarity NPD6778 Approved
0.8743 High Similarity NPD6781 Approved
0.8621 High Similarity NPD7804 Clinical (unspecified phase)
0.8602 High Similarity NPD7435 Discontinued
0.8529 High Similarity NPD4381 Clinical (unspecified phase)
0.8523 High Similarity NPD6797 Phase 2
0.8503 High Similarity NPD7697 Approved
0.8503 High Similarity NPD7698 Approved
0.8503 High Similarity NPD7696 Phase 3
0.8488 Intermediate Similarity NPD6959 Discontinued
0.8475 Intermediate Similarity NPD7251 Discontinued
0.8474 Intermediate Similarity NPD8151 Discontinued
0.847 Intermediate Similarity NPD6535 Approved
0.847 Intermediate Similarity NPD6534 Approved
0.8466 Intermediate Similarity NPD7074 Phase 3
0.8457 Intermediate Similarity NPD7871 Phase 2
0.8457 Intermediate Similarity NPD7870 Phase 2
0.8427 Intermediate Similarity NPD7808 Phase 3
0.8421 Intermediate Similarity NPD7701 Phase 2
0.8409 Intermediate Similarity NPD7054 Approved
0.8393 Intermediate Similarity NPD4380 Phase 2
0.838 Intermediate Similarity NPD8313 Approved
0.838 Intermediate Similarity NPD8312 Approved
0.8371 Intermediate Similarity NPD6559 Discontinued
0.8362 Intermediate Similarity NPD7472 Approved
0.8352 Intermediate Similarity NPD3818 Discontinued
0.8343 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD6166 Phase 2
0.8333 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD6232 Discontinued
0.8333 Intermediate Similarity NPD7699 Phase 2
0.8333 Intermediate Similarity NPD7700 Phase 2
0.8333 Intermediate Similarity NPD7874 Approved
0.8324 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD7473 Discontinued
0.829 Intermediate Similarity NPD7801 Approved
0.8249 Intermediate Similarity NPD3751 Discontinued
0.8208 Intermediate Similarity NPD7075 Discontinued
0.8168 Intermediate Similarity NPD8320 Phase 1
0.8168 Intermediate Similarity NPD8319 Approved
0.8158 Intermediate Similarity NPD6823 Phase 2
0.8152 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD3787 Discontinued
0.8111 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD5844 Phase 1
0.8092 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8046 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD7228 Approved
0.8043 Intermediate Similarity NPD8150 Discontinued
0.8035 Intermediate Similarity NPD7819 Suspended
0.8035 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8034 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD7411 Suspended
0.7977 Intermediate Similarity NPD1934 Approved
0.7977 Intermediate Similarity NPD6801 Discontinued
0.7926 Intermediate Similarity NPD6212 Phase 3
0.7926 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7926 Intermediate Similarity NPD6213 Phase 3
0.7921 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD3226 Approved
0.7892 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD2532 Approved
0.7882 Intermediate Similarity NPD2534 Approved
0.7882 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD2533 Approved
0.7874 Intermediate Similarity NPD37 Approved
0.7853 Intermediate Similarity NPD6234 Discontinued
0.7846 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD4965 Approved
0.7841 Intermediate Similarity NPD4966 Approved
0.7841 Intermediate Similarity NPD3882 Suspended
0.7841 Intermediate Similarity NPD4967 Phase 2
0.7828 Intermediate Similarity NPD7783 Phase 2
0.7828 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7390 Discontinued
0.7809 Intermediate Similarity NPD5494 Approved
0.7784 Intermediate Similarity NPD3817 Phase 2
0.7784 Intermediate Similarity NPD5402 Approved
0.7778 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD6599 Discontinued
0.7727 Intermediate Similarity NPD2801 Approved
0.7701 Intermediate Similarity NPD7458 Discontinued
0.7676 Intermediate Similarity NPD7240 Approved
0.7633 Intermediate Similarity NPD1549 Phase 2
0.763 Intermediate Similarity NPD1512 Approved
0.7627 Intermediate Similarity NPD1465 Phase 2
0.7616 Intermediate Similarity NPD6799 Approved
0.7598 Intermediate Similarity NPD3749 Approved
0.7586 Intermediate Similarity NPD5403 Approved
0.7574 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD8434 Phase 2
0.756 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD8059 Phase 3
0.756 Intermediate Similarity NPD1510 Phase 2
0.7545 Intermediate Similarity NPD1607 Approved
0.7542 Intermediate Similarity NPD7768 Phase 2
0.7529 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD8455 Phase 2
0.7514 Intermediate Similarity NPD1511 Approved
0.7487 Intermediate Similarity NPD7685 Pre-registration
0.7486 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD7199 Phase 2
0.7471 Intermediate Similarity NPD5401 Approved
0.745 Intermediate Similarity NPD7584 Approved
0.7442 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD5710 Approved
0.7432 Intermediate Similarity NPD5711 Approved
0.7425 Intermediate Similarity NPD1240 Approved
0.7412 Intermediate Similarity NPD2796 Approved
0.7384 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD1247 Approved
0.7371 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD2346 Discontinued
0.7341 Intermediate Similarity NPD3750 Approved
0.7341 Intermediate Similarity NPD4628 Phase 3
0.7323 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD2935 Discontinued
0.7303 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6190 Approved
0.7297 Intermediate Similarity NPD3926 Phase 2
0.7283 Intermediate Similarity NPD6674 Discontinued
0.7273 Intermediate Similarity NPD8285 Discontinued
0.7273 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6100 Approved
0.7209 Intermediate Similarity NPD5406 Approved
0.7209 Intermediate Similarity NPD5404 Approved
0.7209 Intermediate Similarity NPD5408 Approved
0.7209 Intermediate Similarity NPD5405 Approved
0.7209 Intermediate Similarity NPD6099 Approved
0.7184 Intermediate Similarity NPD2800 Approved
0.7174 Intermediate Similarity NPD919 Approved
0.7158 Intermediate Similarity NPD5953 Discontinued
0.7151 Intermediate Similarity NPD1653 Approved
0.7151 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7003 Approved
0.7129 Intermediate Similarity NPD7680 Approved
0.7119 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD943 Approved
0.7115 Intermediate Similarity NPD7930 Approved
0.711 Intermediate Similarity NPD1551 Phase 2
0.7079 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD230 Phase 1
0.7073 Intermediate Similarity NPD7585 Approved
0.7069 Intermediate Similarity NPD7266 Discontinued
0.7052 Intermediate Similarity NPD3748 Approved
0.7035 Intermediate Similarity NPD6651 Approved
0.7024 Intermediate Similarity NPD7583 Approved
0.7006 Intermediate Similarity NPD1470 Approved
0.7 Intermediate Similarity NPD7799 Discontinued
0.7 Intermediate Similarity NPD920 Approved
0.6989 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6971 Remote Similarity NPD1471 Phase 3
0.6963 Remote Similarity NPD7286 Phase 2
0.6954 Remote Similarity NPD2799 Discontinued
0.6944 Remote Similarity NPD6273 Approved
0.6941 Remote Similarity NPD4625 Phase 3
0.693 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6919 Remote Similarity NPD1613 Approved
0.6919 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6916 Remote Similarity NPD8366 Approved
0.6911 Remote Similarity NPD7177 Discontinued
0.6907 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4907 Clinical (unspecified phase)
0.69 Remote Similarity NPD4360 Phase 2
0.69 Remote Similarity NPD4363 Phase 3
0.6897 Remote Similarity NPD7097 Phase 1
0.6895 Remote Similarity NPD2403 Approved
0.6893 Remote Similarity NPD7999 Approved
0.6893 Remote Similarity NPD1243 Approved
0.6889 Remote Similarity NPD642 Clinical (unspecified phase)
0.6878 Remote Similarity NPD7229 Phase 3
0.6875 Remote Similarity NPD2344 Approved
0.6864 Remote Similarity NPD2798 Approved
0.6842 Remote Similarity NPD3027 Phase 3
0.6825 Remote Similarity NPD8127 Discontinued
0.6823 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6821 Remote Similarity NPD4060 Phase 1
0.6802 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6802 Remote Similarity NPD3764 Approved
0.6802 Remote Similarity NPD2313 Discontinued
0.6798 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6789 Remote Similarity NPD8491 Approved
0.6784 Remote Similarity NPD8360 Approved
0.6784 Remote Similarity NPD8361 Approved
0.6784 Remote Similarity NPD4908 Phase 1
0.6784 Remote Similarity NPD4287 Approved

Structure

External Identifiers

PubChem CID   66363
ChEMBL   CHEMBL29627
ZINC  

Physicochemical Properties

Molecular Weight:  574.17
ALogP:  -3.5208
MLogP:  3.11
XLogP:  -1.694
# Rotatable Bonds:  15
Polar Surface Area:  198.51
# H-Bond Aceptor:  10
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  41

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