Natural Product: NPC313274

Natural Product ID:  NPC313274
Common Name:   (7S,9R,10R)-7,10-Bis[[4-(Dimethylamino)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy]-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
IUPAC Name:   (7S,9R,10R)-7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms:  
Molecular Formula:   C36H48N2O12
Standard InCHIKey:  NWPIUETWDSWOKV-QROLFQDOSA-N
Standard InCHI:  InChI=1S/C36H48N2O12/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3/t15?,16?,18?,19?,21-,22?,23?,29?,30?,35+,36+/m0/s1
Canonical SMILES:  CC[C@@]1(O)C[C@H](OC2OC(C)C(C(C2)N(C)C)O)c2c([C@H]1OC1OC(C)C(C(C1)N(C)C)O)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000265 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO16149 Streptomyces purpurascens Species Streptomycetaceae Bacteria StreptomeDB*
NPO6232 Streptomyces griseus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 53.95 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 36.31 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 57.02 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 26.55 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 27.54 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 70.96 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 86.9 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 53.09 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 181.55 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 42.36 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 32.28 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 26.67 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 11.99 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 51.05 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 40.36 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 81.66 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 177.42 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 26.42 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 27.42 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 83.75 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 34.12 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 39.99 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 47.32 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 38.46 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 37.76 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 14.39 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 27.99 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 35.73 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 40.93 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 41.21 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 40.93 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 20.84 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 41.02 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 22.7 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 30.55 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 19.54 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 28.44 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 24.72 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 58.48 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 60.26 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 32.14 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 98.4 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 36.06 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 39.72 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 59.98 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 25.29 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 17.99 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 19.54 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 34.12 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 39.99 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 70.63 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 57.68 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 145.55 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 19.63 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 68.71 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 21.93 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 22.39 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 37.33 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 25.53 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 32.06 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 NPC313274 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
0.9611 High Similarity NPC42286
0.9409 High Similarity NPC315889
0.9351 High Similarity NPC314941
0.9062 High Similarity NPC315253
0.9027 High Similarity NPC315351
0.9027 High Similarity NPC316412
0.893 High Similarity NPC109403
0.893 High Similarity NPC261012
0.893 High Similarity NPC314738
0.8757 High Similarity NPC478020
0.8757 High Similarity NPC478022
0.8619 High Similarity NPC294501
0.8564 High Similarity NPC478021
0.8525 High Similarity NPC19056
0.8525 High Similarity NPC470583
0.849 Intermediate Similarity NPC316164
0.8473 Intermediate Similarity NPC252156
0.8432 Intermediate Similarity NPC115447
0.8432 Intermediate Similarity NPC266513
0.8432 Intermediate Similarity NPC470581
0.8432 Intermediate Similarity NPC470582
0.8415 Intermediate Similarity NPC270027
0.8415 Intermediate Similarity NPC183441
0.841 Intermediate Similarity NPC314946
0.8387 Intermediate Similarity NPC187441
0.8387 Intermediate Similarity NPC283980
0.8387 Intermediate Similarity NPC58538
0.8387 Intermediate Similarity NPC72783
0.8378 Intermediate Similarity NPC102053
0.8371 Intermediate Similarity NPC53139
0.8367 Intermediate Similarity NPC314596
0.8361 Intermediate Similarity NPC470580
0.8342 Intermediate Similarity NPC108487
0.8333 Intermediate Similarity NPC83331
0.8324 Intermediate Similarity NPC70862
0.8307 Intermediate Similarity NPC87583
0.8306 Intermediate Similarity NPC175477
0.8298 Intermediate Similarity NPC313452
0.828 Intermediate Similarity NPC289876
0.828 Intermediate Similarity NPC46958
0.828 Intermediate Similarity NPC475246
0.828 Intermediate Similarity NPC176246
0.827 Intermediate Similarity NPC203751
0.8254 Intermediate Similarity NPC292706
0.8254 Intermediate Similarity NPC224557
0.8247 Intermediate Similarity NPC133775
0.8245 Intermediate Similarity NPC475161
0.8245 Intermediate Similarity NPC477860
0.8245 Intermediate Similarity NPC315221
0.8242 Intermediate Similarity NPC329647
0.8242 Intermediate Similarity NPC478026
0.8242 Intermediate Similarity NPC470735
0.8232 Intermediate Similarity NPC187934
0.8232 Intermediate Similarity NPC97637
0.8226 Intermediate Similarity NPC3718
0.8212 Intermediate Similarity NPC206641
0.8212 Intermediate Similarity NPC208651
0.8191 Intermediate Similarity NPC153578
0.8191 Intermediate Similarity NPC114257
0.8191 Intermediate Similarity NPC299149
0.8191 Intermediate Similarity NPC277710
0.8177 Intermediate Similarity NPC314672
0.8172 Intermediate Similarity NPC85368
0.8172 Intermediate Similarity NPC65118
0.8148 Intermediate Similarity NPC85316
0.8148 Intermediate Similarity NPC197357
0.8118 Intermediate Similarity NPC5029
0.8118 Intermediate Similarity NPC30432
0.8118 Intermediate Similarity NPC111536
0.8118 Intermediate Similarity NPC76128
0.8118 Intermediate Similarity NPC271385
0.8118 Intermediate Similarity NPC315619
0.8108 Intermediate Similarity NPC246274
0.8105 Intermediate Similarity NPC329790
0.8101 Intermediate Similarity NPC3449
0.8085 Intermediate Similarity NPC475233
0.8075 Intermediate Similarity NPC199357
0.8073 Intermediate Similarity NPC105591
0.8071 Intermediate Similarity NPC131405
0.8056 Intermediate Similarity NPC283480
0.8056 Intermediate Similarity NPC148323
0.8054 Intermediate Similarity NPC103633
0.8054 Intermediate Similarity NPC63470
0.8033 Intermediate Similarity NPC212099
0.8033 Intermediate Similarity NPC278329
0.8033 Intermediate Similarity NPC146837
0.8033 Intermediate Similarity NPC101116
0.8032 Intermediate Similarity NPC68381
0.8021 Intermediate Similarity NPC241847
0.8011 Intermediate Similarity NPC222455
0.8 Intermediate Similarity NPC245059
0.8 Intermediate Similarity NPC192219
0.8 Intermediate Similarity NPC82190
0.8 Intermediate Similarity NPC212290
0.8 Intermediate Similarity NPC84494
0.8 Intermediate Similarity NPC174599
0.7989 Intermediate Similarity NPC198893
0.7989 Intermediate Similarity NPC314489
0.7989 Intermediate Similarity NPC232818
0.7979 Intermediate Similarity NPC472054
0.7979 Intermediate Similarity NPC98776
0.7979 Intermediate Similarity NPC213052
0.7961 Intermediate Similarity NPC313582
0.7958 Intermediate Similarity NPC470452
0.7958 Intermediate Similarity NPC164047
0.7958 Intermediate Similarity NPC470448
0.7958 Intermediate Similarity NPC470453
0.7949 Intermediate Similarity NPC264302
0.7946 Intermediate Similarity NPC297404
0.7946 Intermediate Similarity NPC11608
0.7946 Intermediate Similarity NPC178281
0.7944 Intermediate Similarity NPC218870
0.7944 Intermediate Similarity NPC474622
0.7944 Intermediate Similarity NPC470408
0.7944 Intermediate Similarity NPC205172
0.7944 Intermediate Similarity NPC209393
0.7944 Intermediate Similarity NPC182921
0.7944 Intermediate Similarity NPC474824
0.7944 Intermediate Similarity NPC474621
0.7937 Intermediate Similarity NPC146803
0.7937 Intermediate Similarity NPC307754
0.7937 Intermediate Similarity NPC223735
0.7927 Intermediate Similarity NPC475352
0.7927 Intermediate Similarity NPC475220
0.7927 Intermediate Similarity NPC473686
0.7927 Intermediate Similarity NPC221140
0.7927 Intermediate Similarity NPC229817
0.7923 Intermediate Similarity NPC284495
0.7917 Intermediate Similarity NPC475662
0.7917 Intermediate Similarity NPC478001
0.7917 Intermediate Similarity NPC476203
0.7917 Intermediate Similarity NPC293227
0.7917 Intermediate Similarity NPC473631
0.7917 Intermediate Similarity NPC473717
0.7895 Intermediate Similarity NPC76112
0.7895 Intermediate Similarity NPC170018
0.7895 Intermediate Similarity NPC92403
0.7895 Intermediate Similarity NPC66820
0.7885 Intermediate Similarity NPC170101
0.7884 Intermediate Similarity NPC470438
0.7872 Intermediate Similarity NPC298778
0.7865 Intermediate Similarity NPC208069
0.7861 Intermediate Similarity NPC107009
0.7857 Intermediate Similarity NPC474861
0.7857 Intermediate Similarity NPC478027
0.7857 Intermediate Similarity NPC321046
0.7853 Intermediate Similarity NPC285122
0.7846 Intermediate Similarity NPC205721
0.7846 Intermediate Similarity NPC473618
0.7842 Intermediate Similarity NPC470454
0.7842 Intermediate Similarity NPC199533
0.7842 Intermediate Similarity NPC63105
0.7842 Intermediate Similarity NPC470667
0.7842 Intermediate Similarity NPC186800
0.7838 Intermediate Similarity NPC216752
0.7828 Intermediate Similarity NPC314687
0.7826 Intermediate Similarity NPC321226
0.7826 Intermediate Similarity NPC478046
0.7826 Intermediate Similarity NPC180210
0.7826 Intermediate Similarity NPC314914
0.7826 Intermediate Similarity NPC478047
0.7826 Intermediate Similarity NPC328856
0.7824 Intermediate Similarity NPC473883
0.7819 Intermediate Similarity NPC137460
0.7819 Intermediate Similarity NPC259905
0.7817 Intermediate Similarity NPC470199
0.7817 Intermediate Similarity NPC314459
0.7814 Intermediate Similarity NPC257309
0.7807 Intermediate Similarity NPC469419
0.7807 Intermediate Similarity NPC70441
0.7807 Intermediate Similarity NPC178851
0.7802 Intermediate Similarity NPC266469
0.7796 Intermediate Similarity NPC17432
0.7795 Intermediate Similarity NPC179947
0.779 Intermediate Similarity NPC478220
0.779 Intermediate Similarity NPC474533
0.779 Intermediate Similarity NPC474534
0.7789 Intermediate Similarity NPC470336
0.7789 Intermediate Similarity NPC168789
0.7789 Intermediate Similarity NPC470335
0.7788 Intermediate Similarity NPC316368
0.7788 Intermediate Similarity NPC284236
0.7778 Intermediate Similarity NPC44558
0.7778 Intermediate Similarity NPC478048
0.7778 Intermediate Similarity NPC241874
0.7766 Intermediate Similarity NPC48474
0.7766 Intermediate Similarity NPC234497
0.7766 Intermediate Similarity NPC472058
0.7766 Intermediate Similarity NPC324522
0.7766 Intermediate Similarity NPC105414
0.7766 Intermediate Similarity NPC470341
0.776 Intermediate Similarity NPC472387
0.776 Intermediate Similarity NPC469418
0.7754 Intermediate Similarity NPC99216
0.7749 Intermediate Similarity NPC102028
0.7749 Intermediate Similarity NPC474345
0.7742 Intermediate Similarity NPC478229
0.7739 Intermediate Similarity NPC316274
0.7739 Intermediate Similarity NPC470196
0.7739 Intermediate Similarity NPC470193

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC313274 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
0.9409 High Similarity NPD7701 Phase 2
0.9351 High Similarity NPD8320 Phase 1
0.9351 High Similarity NPD8319 Approved
0.9235 High Similarity NPD7699 Phase 2
0.9235 High Similarity NPD7700 Phase 2
0.9071 High Similarity NPD6535 Approved
0.9071 High Similarity NPD6534 Approved
0.8989 High Similarity NPD7697 Approved
0.8989 High Similarity NPD7696 Phase 3
0.8989 High Similarity NPD7698 Approved
0.893 High Similarity NPD6779 Approved
0.893 High Similarity NPD6777 Approved
0.893 High Similarity NPD6776 Approved
0.893 High Similarity NPD6782 Approved
0.893 High Similarity NPD6781 Approved
0.893 High Similarity NPD6780 Approved
0.893 High Similarity NPD6778 Approved
0.8895 High Similarity NPD7211 Clinical (unspecified phase)
0.886 High Similarity NPD7801 Approved
0.8842 High Similarity NPD7871 Phase 2
0.8842 High Similarity NPD7870 Phase 2
0.8808 High Similarity NPD7875 Clinical (unspecified phase)
0.8808 High Similarity NPD7874 Approved
0.8737 High Similarity NPD6823 Phase 2
0.865 High Similarity NPD8155 Clinical (unspecified phase)
0.8529 High Similarity NPD8059 Phase 3
0.8529 High Similarity NPD8058 Clinical (unspecified phase)
0.8497 Intermediate Similarity NPD7435 Discontinued
0.8469 Intermediate Similarity NPD8151 Discontinued
0.8457 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8316 Intermediate Similarity NPD6213 Phase 3
0.8316 Intermediate Similarity NPD6212 Phase 3
0.8316 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD7783 Phase 2
0.8291 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.8053 Intermediate Similarity NPD8150 Discontinued
0.7895 Intermediate Similarity NPD8312 Approved
0.7895 Intermediate Similarity NPD8313 Approved
0.7739 Intermediate Similarity NPD8285 Discontinued
0.7729 Intermediate Similarity NPD7930 Approved
0.7692 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7592 Intermediate Similarity NPD7074 Phase 3
0.7565 Intermediate Similarity NPD5026 Approved
0.7565 Intermediate Similarity NPD36 Approved
0.7565 Intermediate Similarity NPD4954 Approved
0.7565 Intermediate Similarity NPD5028 Approved
0.7565 Intermediate Similarity NPD4955 Approved
0.7565 Intermediate Similarity NPD5034 Approved
0.7539 Intermediate Similarity NPD7054 Approved
0.7513 Intermediate Similarity NPD5030 Phase 2
0.7513 Intermediate Similarity NPD8360 Approved
0.7513 Intermediate Similarity NPD8361 Approved
0.7512 Intermediate Similarity NPD7999 Approved
0.75 Intermediate Similarity NPD5037 Approved
0.75 Intermediate Similarity NPD7472 Approved
0.75 Intermediate Similarity NPD5038 Approved
0.7474 Intermediate Similarity NPD7808 Phase 3
0.7449 Intermediate Similarity NPD5036 Approved
0.7448 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD8435 Approved
0.7423 Intermediate Similarity NPD7251 Discontinued
0.7423 Intermediate Similarity NPD8368 Discontinued
0.7407 Intermediate Similarity NPD6959 Discontinued
0.7403 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD8407 Phase 2
0.7371 Intermediate Similarity NPD6797 Phase 2
0.7344 Intermediate Similarity NPD7473 Discontinued
0.7333 Intermediate Similarity NPD6559 Discontinued
0.7308 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7584 Approved
0.7306 Intermediate Similarity NPD3751 Discontinued
0.7306 Intermediate Similarity NPD3818 Discontinued
0.7304 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD4380 Phase 2
0.7296 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7291 Intermediate Similarity NPD8485 Approved
0.7277 Intermediate Similarity NPD5711 Approved
0.7277 Intermediate Similarity NPD5710 Approved
0.7277 Intermediate Similarity NPD6232 Discontinued
0.7268 Intermediate Similarity NPD5844 Phase 1
0.7259 Intermediate Similarity NPD5035 Approved
0.7245 Intermediate Similarity NPD5029 Approved
0.7245 Intermediate Similarity NPD5031 Approved
0.7245 Intermediate Similarity NPD5027 Approved
0.7219 Intermediate Similarity NPD6844 Discontinued
0.7208 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD6166 Phase 2
0.7202 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD7907 Approved
0.7188 Intermediate Similarity NPD3787 Discontinued
0.7186 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7819 Suspended
0.7163 Intermediate Similarity NPD7497 Discontinued
0.715 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7228 Approved
0.7128 Intermediate Similarity NPD7177 Discontinued
0.7123 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5005 Approved
0.7115 Intermediate Similarity NPD5006 Approved
0.7109 Intermediate Similarity NPD7585 Approved
0.709 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4420 Approved
0.7083 Intermediate Similarity NPD5494 Approved
0.7083 Intermediate Similarity NPD8404 Phase 2
0.7079 Intermediate Similarity NPD6836 Approved
0.7068 Intermediate Similarity NPD7075 Discontinued
0.7065 Intermediate Similarity NPD7390 Discontinued
0.7062 Intermediate Similarity NPD7583 Approved
0.7053 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4360 Phase 2
0.7024 Intermediate Similarity NPD4363 Phase 3
0.702 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4914 Approved
0.7018 Intermediate Similarity NPD4665 Approved
0.7018 Intermediate Similarity NPD4111 Phase 1
0.701 Intermediate Similarity NPD5968 Phase 3
0.7 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8455 Phase 2
0.6986 Remote Similarity NPD2494 Approved
0.6986 Remote Similarity NPD2493 Approved
0.6985 Remote Similarity NPD5039 Approved
0.6982 Remote Similarity NPD8491 Approved
0.6971 Remote Similarity NPD7565 Approved
0.6968 Remote Similarity NPD3226 Approved
0.6968 Remote Similarity NPD7458 Discontinued
0.6965 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6957 Remote Similarity NPD7282 Approved
0.6955 Remote Similarity NPD8366 Approved
0.6954 Remote Similarity NPD7893 Clinical (unspecified phase)
0.695 Remote Similarity NPD5032 Approved
0.6947 Remote Similarity NPD1934 Approved
0.6939 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6927 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6911 Remote Similarity NPD2801 Approved
0.6911 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6905 Remote Similarity NPD3452 Approved
0.6905 Remote Similarity NPD3450 Approved
0.69 Remote Similarity NPD7685 Pre-registration
0.6897 Remote Similarity NPD8434 Phase 2
0.6887 Remote Similarity NPD4583 Approved
0.6887 Remote Similarity NPD4582 Approved
0.6884 Remote Similarity NPD4956 Approved
0.6878 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2974 Approved
0.6875 Remote Similarity NPD5402 Approved
0.6875 Remote Similarity NPD2975 Approved
0.6875 Remote Similarity NPD2973 Approved
0.6872 Remote Similarity NPD4387 Approved
0.6872 Remote Similarity NPD4386 Approved
0.6851 Remote Similarity NPD8152 Approved
0.6851 Remote Similarity NPD8153 Approved
0.6847 Remote Similarity NPD6997 Phase 2
0.6845 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6844 Remote Similarity NPD7654 Discontinued
0.684 Remote Similarity NPD4004 Approved
0.684 Remote Similarity NPD4002 Approved
0.6831 Remote Similarity NPD7266 Discontinued
0.6827 Remote Similarity NPD4361 Phase 2
0.6827 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7240 Approved
0.681 Remote Similarity NPD5544 Approved
0.6806 Remote Similarity NPD7411 Suspended
0.6806 Remote Similarity NPD6386 Approved
0.6806 Remote Similarity NPD6385 Approved
0.6802 Remote Similarity NPD5242 Approved
0.6789 Remote Similarity NPD2649 Approved
0.6789 Remote Similarity NPD2651 Approved
0.6788 Remote Similarity NPD5353 Approved
0.6784 Remote Similarity NPD7799 Discontinued
0.678 Remote Similarity NPD7906 Approved
0.6777 Remote Similarity NPD4580 Approved
0.6776 Remote Similarity NPD5408 Approved
0.6776 Remote Similarity NPD5406 Approved
0.6776 Remote Similarity NPD5404 Approved
0.6776 Remote Similarity NPD5405 Approved
0.6774 Remote Similarity NPD6190 Approved
0.6771 Remote Similarity NPD37 Approved
0.6771 Remote Similarity NPD6801 Discontinued
0.6769 Remote Similarity NPD6234 Discontinued
0.6766 Remote Similarity NPD3823 Discontinued
0.6755 Remote Similarity NPD2532 Approved
0.6755 Remote Similarity NPD2533 Approved
0.6755 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6755 Remote Similarity NPD2534 Approved
0.6753 Remote Similarity NPD4967 Phase 2
0.6753 Remote Similarity NPD4966 Approved
0.6753 Remote Similarity NPD4965 Approved
0.6753 Remote Similarity NPD7768 Phase 2
0.675 Remote Similarity NPD6020 Phase 2
0.6734 Remote Similarity NPD5033 Approved
0.6733 Remote Similarity NPD7039 Approved
0.6733 Remote Similarity NPD7038 Approved
0.6732 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7047 Phase 3

Structure

External Identifiers

PubChem CID   5351236
ChEMBL   CHEMBL1978022
ZINC  

Physicochemical Properties

Molecular Weight:  700.32
ALogP:  -4.3484
MLogP:  3.88
XLogP:  -0.716
# Rotatable Bonds:  20
Polar Surface Area:  198.92
# H-Bond Aceptor:  11
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  50

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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