Natural Product: NPC165234

Natural Product ID:  NPC165234
Common Name:   [(3S,8S,9R,10R,12R,13S,14R,17S)-17-Acetyl-8,14,17-Trihydroxy-3-[5-[5-[5-(5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl)Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-12-Yl] (E)-3-Phenylprop-2-Enoate
IUPAC Name:   [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Synonyms:  
Molecular Formula:   C58H86O19
Standard InCHIKey:  WXYGKQHQSYONAN-NVRSCGFLSA-N
Standard InCHI:  InChI=1S/C58H86O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-34,38-44,46-53,61-64H,20-30H2,1-11H3/b18-17+/t31?,32?,33?,34?,38-,39?,40?,41?,42?,43+,44+,46?,47?,48?,49?,50?,51?,52?,53?,54-,55+,56+,57-,58+/m0/s1
Canonical SMILES:  COC1CC(O[C@H]2CC[C@]3(C(=CC[C@@]4([C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3([C@]4(O)CC[C@@]3(O)C(=O)C)C)O)C2)C)OC(C1OC1CC(OC)C(C(O1)C)OC1CC(OC)C(C(O1)C)OC1CC(OC)C(C(O1)C)O)C
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
NPO8809 Cynanchum wilfordii Species Apocynaceae Eukaryota TM-MC*

  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 12502.59 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 3111.72 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 6745.28 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 11428.78 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 11015.39 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 10115.79 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 5984.12 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 12502.59 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 NPC165234 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
1.0 High Similarity NPC475536
0.9934 High Similarity NPC475300
0.9934 High Similarity NPC475437
0.9934 High Similarity NPC475464
0.9934 High Similarity NPC475505
0.9934 High Similarity NPC473641
0.9934 High Similarity NPC473797
0.9267 High Similarity NPC474564
0.9205 High Similarity NPC475218
0.9205 High Similarity NPC475447
0.9205 High Similarity NPC476092
0.9205 High Similarity NPC70236
0.9202 High Similarity NPC475613
0.9125 High Similarity NPC477488
0.9057 High Similarity NPC473557
0.9057 High Similarity NPC473468
0.9057 High Similarity NPC475567
0.9 High Similarity NPC475198
0.9 High Similarity NPC475531
0.9 High Similarity NPC475175
0.8938 High Similarity NPC477491
0.8917 High Similarity NPC476784
0.8917 High Similarity NPC477467
0.8854 High Similarity NPC477470
0.8854 High Similarity NPC477472
0.8854 High Similarity NPC477474
0.8782 High Similarity NPC69425
0.8774 High Similarity NPC329657
0.875 High Similarity NPC111466
0.8693 High Similarity NPC40085
0.8693 High Similarity NPC264270
0.8598 High Similarity NPC102465
0.8545 High Similarity NPC477471
0.8545 High Similarity NPC477466
0.8545 High Similarity NPC477473
0.8545 High Similarity NPC477469
0.8497 Intermediate Similarity NPC475513
0.8497 Intermediate Similarity NPC473755
0.8491 Intermediate Similarity NPC471176
0.8491 Intermediate Similarity NPC469456
0.8466 Intermediate Similarity NPC329960
0.8466 Intermediate Similarity NPC150893
0.8466 Intermediate Similarity NPC295408
0.8447 Intermediate Similarity NPC477736
0.84 Intermediate Similarity NPC79250
0.84 Intermediate Similarity NPC290746
0.8385 Intermediate Similarity NPC477735
0.8373 Intermediate Similarity NPC40138
0.8366 Intermediate Similarity NPC473440
0.8333 Intermediate Similarity NPC277053
0.8333 Intermediate Similarity NPC301946
0.8333 Intermediate Similarity NPC319404
0.8323 Intermediate Similarity NPC284957
0.8303 Intermediate Similarity NPC471493
0.8302 Intermediate Similarity NPC478123
0.8293 Intermediate Similarity NPC275477
0.8282 Intermediate Similarity NPC477623
0.8269 Intermediate Similarity NPC80895
0.8269 Intermediate Similarity NPC471912
0.8261 Intermediate Similarity NPC472549
0.8261 Intermediate Similarity NPC473611
0.8261 Intermediate Similarity NPC132599
0.8261 Intermediate Similarity NPC473632
0.8261 Intermediate Similarity NPC469730
0.8258 Intermediate Similarity NPC63737
0.8253 Intermediate Similarity NPC324769
0.8253 Intermediate Similarity NPC325732
0.8242 Intermediate Similarity NPC66193
0.8242 Intermediate Similarity NPC478125
0.8239 Intermediate Similarity NPC476173
0.8221 Intermediate Similarity NPC49297
0.8221 Intermediate Similarity NPC469399
0.821 Intermediate Similarity NPC70344
0.821 Intermediate Similarity NPC154675
0.8204 Intermediate Similarity NPC161151
0.8194 Intermediate Similarity NPC325078
0.8193 Intermediate Similarity NPC471134
0.8182 Intermediate Similarity NPC478124
0.8182 Intermediate Similarity NPC189704
0.8176 Intermediate Similarity NPC469421
0.816 Intermediate Similarity NPC318447
0.816 Intermediate Similarity NPC181924
0.816 Intermediate Similarity NPC322048
0.816 Intermediate Similarity NPC469417
0.8155 Intermediate Similarity NPC469420
0.8148 Intermediate Similarity NPC469398
0.8148 Intermediate Similarity NPC228204
0.8148 Intermediate Similarity NPC26033
0.8148 Intermediate Similarity NPC5115
0.8144 Intermediate Similarity NPC61891
0.8137 Intermediate Similarity NPC472548
0.8136 Intermediate Similarity NPC476067
0.8136 Intermediate Similarity NPC475121
0.8125 Intermediate Similarity NPC96194
0.8125 Intermediate Similarity NPC299855
0.8125 Intermediate Similarity NPC475417
0.8125 Intermediate Similarity NPC7095
0.8125 Intermediate Similarity NPC475561
0.8121 Intermediate Similarity NPC476077
0.8101 Intermediate Similarity NPC471162
0.8098 Intermediate Similarity NPC106895
0.8098 Intermediate Similarity NPC323001
0.8098 Intermediate Similarity NPC326235
0.8086 Intermediate Similarity NPC265395
0.8086 Intermediate Similarity NPC133430
0.8086 Intermediate Similarity NPC469477
0.8086 Intermediate Similarity NPC242262
0.8086 Intermediate Similarity NPC472005
0.8086 Intermediate Similarity NPC472657
0.8086 Intermediate Similarity NPC473414
0.8086 Intermediate Similarity NPC158333
0.8086 Intermediate Similarity NPC472030
0.8086 Intermediate Similarity NPC249471
0.8086 Intermediate Similarity NPC237549
0.8086 Intermediate Similarity NPC256142
0.8086 Intermediate Similarity NPC471135
0.8086 Intermediate Similarity NPC304876
0.8086 Intermediate Similarity NPC472022
0.8086 Intermediate Similarity NPC472658
0.8086 Intermediate Similarity NPC1173
0.8086 Intermediate Similarity NPC257213
0.8081 Intermediate Similarity NPC195972
0.8075 Intermediate Similarity NPC51602
0.8075 Intermediate Similarity NPC298072
0.8075 Intermediate Similarity NPC471103
0.8075 Intermediate Similarity NPC62792
0.8072 Intermediate Similarity NPC477188
0.8072 Intermediate Similarity NPC43304
0.8072 Intermediate Similarity NPC477190
0.8063 Intermediate Similarity NPC60509
0.8063 Intermediate Similarity NPC250046
0.8063 Intermediate Similarity NPC81698
0.8061 Intermediate Similarity NPC471138
0.8061 Intermediate Similarity NPC309991
0.8061 Intermediate Similarity NPC326328
0.8061 Intermediate Similarity NPC323356
0.8045 Intermediate Similarity NPC112708
0.8039 Intermediate Similarity NPC471911
0.8039 Intermediate Similarity NPC4242
0.8037 Intermediate Similarity NPC34066
0.8037 Intermediate Similarity NPC469422
0.8037 Intermediate Similarity NPC112523
0.8037 Intermediate Similarity NPC114410
0.8037 Intermediate Similarity NPC282239
0.8026 Intermediate Similarity NPC80599
0.8026 Intermediate Similarity NPC476976
0.8025 Intermediate Similarity NPC477905
0.8024 Intermediate Similarity NPC322420
0.8012 Intermediate Similarity NPC198455
0.8012 Intermediate Similarity NPC470245
0.8012 Intermediate Similarity NPC112216
0.8012 Intermediate Similarity NPC165260
0.8012 Intermediate Similarity NPC473214
0.8012 Intermediate Similarity NPC469448
0.8012 Intermediate Similarity NPC161239
0.8 Intermediate Similarity NPC473711
0.8 Intermediate Similarity NPC471855
0.8 Intermediate Similarity NPC471102
0.8 Intermediate Similarity NPC473519
0.8 Intermediate Similarity NPC475299
0.8 Intermediate Similarity NPC473805
0.7989 Intermediate Similarity NPC230670
0.7989 Intermediate Similarity NPC71385
0.7988 Intermediate Similarity NPC475638
0.7988 Intermediate Similarity NPC475548
0.7988 Intermediate Similarity NPC290683
0.7987 Intermediate Similarity NPC127857
0.7977 Intermediate Similarity NPC124828
0.7975 Intermediate Similarity NPC77719
0.7975 Intermediate Similarity NPC146310
0.7974 Intermediate Similarity NPC159811
0.7964 Intermediate Similarity NPC55744
0.7963 Intermediate Similarity NPC101043
0.7963 Intermediate Similarity NPC469415
0.7963 Intermediate Similarity NPC306799
0.7961 Intermediate Similarity NPC476977
0.795 Intermediate Similarity NPC473215
0.795 Intermediate Similarity NPC476975
0.7947 Intermediate Similarity NPC102015
0.7939 Intermediate Similarity NPC472393
0.7939 Intermediate Similarity NPC469771
0.7937 Intermediate Similarity NPC474241
0.7927 Intermediate Similarity NPC473670
0.7927 Intermediate Similarity NPC21410
0.7925 Intermediate Similarity NPC471139
0.7922 Intermediate Similarity NPC470143
0.7922 Intermediate Similarity NPC322503
0.7919 Intermediate Similarity NPC477617
0.7917 Intermediate Similarity NPC478073
0.7917 Intermediate Similarity NPC269668
0.7914 Intermediate Similarity NPC469647
0.7914 Intermediate Similarity NPC283875
0.7914 Intermediate Similarity NPC22571
0.7914 Intermediate Similarity NPC138641
0.7914 Intermediate Similarity NPC469648
0.7911 Intermediate Similarity NPC182869
0.7911 Intermediate Similarity NPC140021
0.791 Intermediate Similarity NPC473776
0.791 Intermediate Similarity NPC473205
0.7901 Intermediate Similarity NPC222102

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC165234 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
0.8166 Intermediate Similarity NPD7799 Discontinued
0.7875 Intermediate Similarity NPD7236 Approved
0.7744 Intermediate Similarity NPD7239 Suspended
0.7628 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD8368 Discontinued
0.7542 Intermediate Similarity NPD8407 Phase 2
0.75 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD7058 Phase 2
0.7326 Intermediate Similarity NPD7057 Phase 3
0.7283 Intermediate Similarity NPD8360 Approved
0.7283 Intermediate Similarity NPD8435 Approved
0.7283 Intermediate Similarity NPD8361 Approved
0.7208 Intermediate Similarity NPD7507 Approved
0.7204 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD7685 Pre-registration
0.7179 Intermediate Similarity NPD7319 Approved
0.7174 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD8434 Phase 2
0.7171 Intermediate Similarity NPD8379 Approved
0.7171 Intermediate Similarity NPD8296 Approved
0.7171 Intermediate Similarity NPD8378 Approved
0.7171 Intermediate Similarity NPD8380 Approved
0.7171 Intermediate Similarity NPD8335 Approved
0.7171 Intermediate Similarity NPD8033 Approved
0.7125 Intermediate Similarity NPD7961 Discontinued
0.712 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7736 Approved
0.7105 Intermediate Similarity NPD8377 Approved
0.7105 Intermediate Similarity NPD8294 Approved
0.7078 Intermediate Similarity NPD8328 Phase 3
0.7059 Intermediate Similarity NPD7503 Approved
0.7039 Intermediate Similarity NPD7516 Approved
0.6989 Remote Similarity NPD8150 Discontinued
0.6974 Remote Similarity NPD7328 Approved
0.6974 Remote Similarity NPD8320 Phase 1
0.6974 Remote Similarity NPD8319 Approved
0.6974 Remote Similarity NPD7327 Approved
0.6963 Remote Similarity NPD8485 Approved
0.6961 Remote Similarity NPD7228 Approved
0.6948 Remote Similarity NPD8515 Approved
0.6948 Remote Similarity NPD8517 Approved
0.6948 Remote Similarity NPD8516 Approved
0.6933 Remote Similarity NPD6858 Approved
0.6933 Remote Similarity NPD8133 Approved
0.6933 Remote Similarity NPD7094 Approved
0.6927 Remote Similarity NPD7699 Phase 2
0.6927 Remote Similarity NPD7700 Phase 2
0.6919 Remote Similarity NPD8313 Approved
0.6919 Remote Similarity NPD8312 Approved
0.6902 Remote Similarity NPD7240 Approved
0.6872 Remote Similarity NPD8127 Discontinued
0.6864 Remote Similarity NPD6190 Approved
0.6839 Remote Similarity NPD8513 Phase 3
0.6818 Remote Similarity NPD8455 Phase 2
0.6805 Remote Similarity NPD8166 Discontinued
0.6795 Remote Similarity NPD6370 Approved
0.6776 Remote Similarity NPD3751 Discontinued
0.6771 Remote Similarity NPD6535 Approved
0.6771 Remote Similarity NPD6534 Approved
0.6755 Remote Similarity NPD6882 Approved
0.6755 Remote Similarity NPD8297 Approved
0.6752 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6751 Remote Similarity NPD7435 Discontinued
0.6744 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6739 Remote Similarity NPD7804 Clinical (unspecified phase)
0.673 Remote Similarity NPD8293 Discontinued
0.6726 Remote Similarity NPD7266 Discontinued
0.6709 Remote Similarity NPD7492 Approved
0.6703 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6688 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6688 Remote Similarity NPD6009 Approved
0.6687 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6685 Remote Similarity NPD7199 Phase 2
0.6684 Remote Similarity NPD7808 Phase 3
0.6667 Remote Similarity NPD6616 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD7696 Phase 3
0.6667 Remote Similarity NPD7697 Approved
0.6667 Remote Similarity NPD7497 Discontinued
0.6667 Remote Similarity NPD6319 Approved
0.6667 Remote Similarity NPD7698 Approved
0.6667 Remote Similarity NPD7741 Discontinued
0.6667 Remote Similarity NPD37 Approved
0.6648 Remote Similarity NPD4965 Approved
0.6648 Remote Similarity NPD7028 Phase 2
0.6648 Remote Similarity NPD4966 Approved
0.6648 Remote Similarity NPD3787 Discontinued
0.6648 Remote Similarity NPD4967 Phase 2
0.6634 Remote Similarity NPD7874 Approved
0.6634 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6631 Remote Similarity NPD6765 Approved
0.6631 Remote Similarity NPD6764 Approved
0.6631 Remote Similarity NPD7251 Discontinued
0.6625 Remote Similarity NPD7078 Approved
0.6617 Remote Similarity NPD7701 Phase 2
0.6613 Remote Similarity NPD7074 Phase 3
0.6605 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6601 Remote Similarity NPD4632 Approved
0.6599 Remote Similarity NPD6779 Approved
0.6599 Remote Similarity NPD6782 Approved
0.6599 Remote Similarity NPD6781 Approved
0.6599 Remote Similarity NPD6780 Approved
0.6599 Remote Similarity NPD6776 Approved
0.6599 Remote Similarity NPD6778 Approved
0.6599 Remote Similarity NPD6777 Approved
0.6591 Remote Similarity NPD7458 Discontinued
0.6579 Remote Similarity NPD6649 Approved
0.6579 Remote Similarity NPD6650 Approved
0.6578 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6578 Remote Similarity NPD6797 Phase 2
0.6575 Remote Similarity NPD6234 Discontinued
0.6569 Remote Similarity NPD8462 Phase 1
0.6562 Remote Similarity NPD8397 Clinical (unspecified phase)
0.655 Remote Similarity NPD7871 Phase 2
0.655 Remote Similarity NPD7870 Phase 2
0.6536 Remote Similarity NPD5760 Phase 2
0.6536 Remote Similarity NPD5761 Phase 2
0.6533 Remote Similarity NPD6412 Phase 2
0.6533 Remote Similarity NPD6685 Approved
0.6524 Remote Similarity NPD7472 Approved
0.652 Remote Similarity NPD7801 Approved
0.6519 Remote Similarity NPD6016 Approved
0.6519 Remote Similarity NPD6015 Approved
0.6516 Remote Similarity NPD2629 Approved
0.6508 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6502 Remote Similarity NPD8151 Discontinued
0.6492 Remote Similarity NPD6785 Approved
0.6492 Remote Similarity NPD6784 Approved
0.649 Remote Similarity NPD6881 Approved
0.649 Remote Similarity NPD6899 Approved
0.649 Remote Similarity NPD6686 Approved
0.6478 Remote Similarity NPD5126 Approved
0.6478 Remote Similarity NPD5988 Approved
0.6478 Remote Similarity NPD5125 Phase 3
0.6474 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6474 Remote Similarity NPD4198 Discontinued
0.6474 Remote Similarity NPD7115 Discovery
0.6471 Remote Similarity NPD7054 Approved
0.6471 Remote Similarity NPD8130 Phase 1
0.6456 Remote Similarity NPD6059 Approved
0.6447 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6447 Remote Similarity NPD6372 Approved
0.6447 Remote Similarity NPD6373 Approved
0.6442 Remote Similarity NPD8404 Phase 2
0.6439 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6439 Remote Similarity NPD7783 Phase 2
0.6433 Remote Similarity NPD5763 Approved
0.6433 Remote Similarity NPD5762 Approved
0.6429 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6424 Remote Similarity NPD5697 Approved
0.6421 Remote Similarity NPD7962 Phase 2
0.642 Remote Similarity NPD6273 Approved
0.6407 Remote Similarity NPD6663 Approved
0.6405 Remote Similarity NPD7102 Approved
0.6405 Remote Similarity NPD6883 Approved
0.6405 Remote Similarity NPD7290 Approved
0.6392 Remote Similarity NPD7610 Discontinued
0.6383 Remote Similarity NPD5844 Phase 1
0.6382 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5736 Approved
0.6364 Remote Similarity NPD6869 Approved
0.6364 Remote Similarity NPD6847 Approved
0.6364 Remote Similarity NPD6617 Approved
0.6358 Remote Similarity NPD7128 Approved
0.6358 Remote Similarity NPD6675 Approved
0.6358 Remote Similarity NPD6402 Approved
0.6358 Remote Similarity NPD5739 Approved
0.6354 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6010 Discontinued
0.634 Remote Similarity NPD6012 Approved
0.634 Remote Similarity NPD6014 Approved
0.634 Remote Similarity NPD6013 Approved
0.6339 Remote Similarity NPD7075 Discontinued
0.6337 Remote Similarity NPD7680 Approved
0.6335 Remote Similarity NPD7604 Phase 2
0.6333 Remote Similarity NPD5765 Approved
0.633 Remote Similarity NPD3818 Discontinued
0.6325 Remote Similarity NPD7055 Discontinued
0.6323 Remote Similarity NPD6912 Phase 3
0.6322 Remote Similarity NPD4628 Phase 3
0.6321 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6316 Remote Similarity NPD7305 Phase 1
0.6312 Remote Similarity NPD5983 Phase 2
0.631 Remote Similarity NPD6166 Phase 2
0.631 Remote Similarity NPD6168 Clinical (unspecified phase)
0.631 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6304 Remote Similarity NPD5537 Clinical (unspecified phase)
0.63 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6294 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6294 Remote Similarity NPD6212 Phase 3
0.6294 Remote Similarity NPD6213 Phase 3
0.6287 Remote Similarity NPD6823 Phase 2
0.6284 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6559 Discontinued
0.6275 Remote Similarity NPD7320 Approved
0.6275 Remote Similarity NPD6011 Approved
0.6275 Remote Similarity NPD7211 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5469232
ChEMBL   CHEMBL1982456
ZINC  

Physicochemical Properties

Molecular Weight:  1086.58
ALogP:  -3.7951
MLogP:  5.75
XLogP:  5.223
# Rotatable Bonds:  32
Polar Surface Area:  235.05
# H-Bond Aceptor:  19
# H-Bond Donor:  4
# Rings:  9
# Heavy Atoms:  77

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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