Natural Product: NPC473803

Natural Product ID:  NPC473803
Common Name:   Teniposide
IUPAC Name:   (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Synonyms:   Teniposide; VM-26; Vumon
Molecular Formula:   C32H32O13S
Standard InCHIKey:  NRUKOCRGYNPUPR-QBPJDGROSA-N
Standard InCHI:  InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
Canonical SMILES:  COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)c1cccs1
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
NPO3003 Linum flavum Species Linaceae Eukaryota Root PMID[1602298]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio = 2.1 12398546
NPT2 Others Unspecified Ratio = 78 8411013
NPT83 Cell Line MCF7 Homo sapiens IC50 = 125 nM 18809333
NPT2 Others Unspecified Ratio = 8 22691179
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 32.58 % 12502332
NPT2 Others Unspecified Ratio = 6.9 23202847
NPT2 Others Unspecified Ratio = 54 21074444
NPT3950 Cell Line GLC4 cell line IC50 = 2800 nM 22372931
NPT2 Others Unspecified Ratio = 117 PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 25.44 % PubChem BioAssay data set
NPT3950 Cell Line GLC4 cell line IC50 = 480 nM 15588096
NPT165 Cell Line HeLa Homo sapiens ED50 = 0.3 ug/ml 10.1039/C1MD00188D
NPT2 Others Unspecified Ratio = 50 7911157
NPT2 Others Unspecified Ratio = 9.8 14738397
NPT1986 Cell Line RPMI 8402 Homo sapiens IC50 = 280 nM DrugMatrix in vitro pharmacology data
NPT1986 Cell Line RPMI 8402 Homo sapiens IC50 = 220 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Ratio = 5.4 19931461
NPT6398 Cell Line 22RV1 Homo sapiens IC50 = 82 nM 23327759
NPT2 Others Unspecified Ratio = 53 11459643
NPT2 Others Unspecified ED50 = 0.06 ug/ml DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Ratio = 70 19654408
NPT2 Others Unspecified Ratio = 84 22037378
NPT1986 Cell Line RPMI 8402 Homo sapiens IC50 = 220 nM 25906329
NPT2 Others Unspecified IC50 = 280 nM 25906329
NPT2 Others Unspecified Ratio = 21 9090871

  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 NPC473803 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
0.8729 High Similarity NPC179240
0.8722 High Similarity NPC185498
0.8564 High Similarity NPC306475
0.8556 High Similarity NPC116759
0.8556 High Similarity NPC14294
0.8444 Intermediate Similarity NPC100465
0.8444 Intermediate Similarity NPC152424
0.8389 Intermediate Similarity NPC268718
0.8389 Intermediate Similarity NPC91634
0.8389 Intermediate Similarity NPC150943
0.8343 Intermediate Similarity NPC288149
0.8306 Intermediate Similarity NPC222531
0.8287 Intermediate Similarity NPC96593
0.8242 Intermediate Similarity NPC115624
0.8222 Intermediate Similarity NPC32373
0.8222 Intermediate Similarity NPC237946
0.8177 Intermediate Similarity NPC207584
0.8177 Intermediate Similarity NPC181168
0.8177 Intermediate Similarity NPC163527
0.8177 Intermediate Similarity NPC19947
0.8177 Intermediate Similarity NPC115281
0.8111 Intermediate Similarity NPC103197
0.8111 Intermediate Similarity NPC30009
0.8087 Intermediate Similarity NPC119910
0.8056 Intermediate Similarity NPC178574
0.8056 Intermediate Similarity NPC65591
0.8056 Intermediate Similarity NPC245948
0.8031 Intermediate Similarity NPC114120
0.8031 Intermediate Similarity NPC167045
0.7969 Intermediate Similarity NPC275690
0.7969 Intermediate Similarity NPC161609
0.7949 Intermediate Similarity NPC313063
0.7949 Intermediate Similarity NPC286301
0.7944 Intermediate Similarity NPC210642
0.7944 Intermediate Similarity NPC13985
0.7929 Intermediate Similarity NPC476358
0.7917 Intermediate Similarity NPC35266
0.7912 Intermediate Similarity NPC136757
0.7884 Intermediate Similarity NPC117911
0.7872 Intermediate Similarity NPC59516
0.7865 Intermediate Similarity NPC469397
0.7861 Intermediate Similarity NPC25889
0.7857 Intermediate Similarity NPC299706
0.7857 Intermediate Similarity NPC245615
0.7857 Intermediate Similarity NPC115466
0.7857 Intermediate Similarity NPC61604
0.7835 Intermediate Similarity NPC188217
0.7835 Intermediate Similarity NPC53680
0.7835 Intermediate Similarity NPC208797
0.7833 Intermediate Similarity NPC216223
0.7833 Intermediate Similarity NPC145569
0.7833 Intermediate Similarity NPC174512
0.7833 Intermediate Similarity NPC262455
0.7833 Intermediate Similarity NPC474965
0.7833 Intermediate Similarity NPC668
0.7833 Intermediate Similarity NPC293757
0.7833 Intermediate Similarity NPC477695
0.7833 Intermediate Similarity NPC177476
0.7826 Intermediate Similarity NPC478055
0.7814 Intermediate Similarity NPC273578
0.7812 Intermediate Similarity NPC475244
0.7812 Intermediate Similarity NPC193377
0.7802 Intermediate Similarity NPC56184
0.7802 Intermediate Similarity NPC477699
0.7801 Intermediate Similarity NPC312006
0.7801 Intermediate Similarity NPC129930
0.7801 Intermediate Similarity NPC471920
0.7801 Intermediate Similarity NPC292712
0.7801 Intermediate Similarity NPC471922
0.7801 Intermediate Similarity NPC114550
0.7801 Intermediate Similarity NPC474075
0.7801 Intermediate Similarity NPC471921
0.7801 Intermediate Similarity NPC20114
0.779 Intermediate Similarity NPC182368
0.779 Intermediate Similarity NPC469706
0.779 Intermediate Similarity NPC9933
0.779 Intermediate Similarity NPC260781
0.779 Intermediate Similarity NPC149505
0.779 Intermediate Similarity NPC214326
0.779 Intermediate Similarity NPC185955
0.779 Intermediate Similarity NPC469707
0.779 Intermediate Similarity NPC145979
0.779 Intermediate Similarity NPC225815
0.779 Intermediate Similarity NPC218041
0.779 Intermediate Similarity NPC24425
0.7778 Intermediate Similarity NPC174734
0.7778 Intermediate Similarity NPC474042
0.7772 Intermediate Similarity NPC67629
0.7772 Intermediate Similarity NPC79736
0.7772 Intermediate Similarity NPC472723
0.7772 Intermediate Similarity NPC38699
0.7772 Intermediate Similarity NPC238834
0.7772 Intermediate Similarity NPC196771
0.7772 Intermediate Similarity NPC186316
0.776 Intermediate Similarity NPC184624
0.776 Intermediate Similarity NPC316539
0.7754 Intermediate Similarity NPC109061
0.7747 Intermediate Similarity NPC164082
0.7747 Intermediate Similarity NPC477700
0.7742 Intermediate Similarity NPC173726
0.7742 Intermediate Similarity NPC241600
0.7737 Intermediate Similarity NPC311912
0.7732 Intermediate Similarity NPC267549
0.7732 Intermediate Similarity NPC80360
0.7732 Intermediate Similarity NPC260300
0.773 Intermediate Similarity NPC163635
0.773 Intermediate Similarity NPC11411
0.7722 Intermediate Similarity NPC101755
0.7722 Intermediate Similarity NPC304687
0.7722 Intermediate Similarity NPC65574
0.7722 Intermediate Similarity NPC80230
0.7722 Intermediate Similarity NPC104024
0.772 Intermediate Similarity NPC473630
0.772 Intermediate Similarity NPC469354
0.7708 Intermediate Similarity NPC469777
0.7708 Intermediate Similarity NPC473697
0.7708 Intermediate Similarity NPC295941
0.7708 Intermediate Similarity NPC135334
0.7708 Intermediate Similarity NPC469775
0.7708 Intermediate Similarity NPC469778
0.7708 Intermediate Similarity NPC100925
0.7708 Intermediate Similarity NPC469772
0.7708 Intermediate Similarity NPC32723
0.7708 Intermediate Similarity NPC469773
0.7708 Intermediate Similarity NPC469776
0.7708 Intermediate Similarity NPC469774
0.7705 Intermediate Similarity NPC476434
0.7705 Intermediate Similarity NPC478268
0.7696 Intermediate Similarity NPC197708
0.7696 Intermediate Similarity NPC88557
0.7696 Intermediate Similarity NPC658
0.7692 Intermediate Similarity NPC229882
0.7692 Intermediate Similarity NPC158635
0.7692 Intermediate Similarity NPC195114
0.768 Intermediate Similarity NPC297574
0.7672 Intermediate Similarity NPC121290
0.7668 Intermediate Similarity NPC105137
0.7667 Intermediate Similarity NPC3982
0.7667 Intermediate Similarity NPC212890
0.7663 Intermediate Similarity NPC473236
0.7663 Intermediate Similarity NPC474606
0.766 Intermediate Similarity NPC124747
0.766 Intermediate Similarity NPC139540
0.766 Intermediate Similarity NPC149873
0.766 Intermediate Similarity NPC7191
0.766 Intermediate Similarity NPC177100
0.766 Intermediate Similarity NPC155754
0.765 Intermediate Similarity NPC264302
0.765 Intermediate Similarity NPC32079
0.7647 Intermediate Similarity NPC215400
0.7647 Intermediate Similarity NPC7543
0.7647 Intermediate Similarity NPC230531
0.7647 Intermediate Similarity NPC98083
0.7647 Intermediate Similarity NPC478269
0.7647 Intermediate Similarity NPC94220
0.7647 Intermediate Similarity NPC24339
0.7647 Intermediate Similarity NPC166456
0.7644 Intermediate Similarity NPC167231
0.7644 Intermediate Similarity NPC475453
0.7644 Intermediate Similarity NPC473531
0.7644 Intermediate Similarity NPC215802
0.7644 Intermediate Similarity NPC79322
0.7638 Intermediate Similarity NPC7839
0.7638 Intermediate Similarity NPC142291
0.7637 Intermediate Similarity NPC55158
0.7637 Intermediate Similarity NPC51328
0.7637 Intermediate Similarity NPC125570
0.7637 Intermediate Similarity NPC477698
0.7637 Intermediate Similarity NPC286235
0.7634 Intermediate Similarity NPC165483
0.7634 Intermediate Similarity NPC228357
0.7629 Intermediate Similarity NPC469438
0.7619 Intermediate Similarity NPC198796
0.7619 Intermediate Similarity NPC22130
0.7619 Intermediate Similarity NPC246024
0.7619 Intermediate Similarity NPC116838
0.7617 Intermediate Similarity NPC5786
0.7617 Intermediate Similarity NPC102851
0.7614 Intermediate Similarity NPC473776
0.7614 Intermediate Similarity NPC473205
0.7611 Intermediate Similarity NPC286245
0.7611 Intermediate Similarity NPC272619
0.7611 Intermediate Similarity NPC477702
0.7609 Intermediate Similarity NPC471154
0.7609 Intermediate Similarity NPC472611
0.7609 Intermediate Similarity NPC472612
0.7609 Intermediate Similarity NPC302610
0.7609 Intermediate Similarity NPC289967
0.7609 Intermediate Similarity NPC21902
0.7606 Intermediate Similarity NPC100936
0.7606 Intermediate Similarity NPC1253
0.7606 Intermediate Similarity NPC470637
0.7602 Intermediate Similarity NPC80956
0.7602 Intermediate Similarity NPC93685
0.7602 Intermediate Similarity NPC108191
0.7592 Intermediate Similarity NPC471923
0.7592 Intermediate Similarity NPC83049
0.7592 Intermediate Similarity NPC9309
0.7592 Intermediate Similarity NPC118162
0.7592 Intermediate Similarity NPC320471

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473803 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
1.0 High Similarity NPD7680 Approved
0.8722 High Similarity NPD7228 Approved
0.8333 Intermediate Similarity NPD6234 Discontinued
0.8235 Intermediate Similarity NPD7240 Approved
0.8222 Intermediate Similarity NPD4966 Approved
0.8222 Intermediate Similarity NPD4965 Approved
0.8222 Intermediate Similarity NPD4967 Phase 2
0.8056 Intermediate Similarity NPD37 Approved
0.7889 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD7199 Phase 2
0.7602 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD7229 Phase 3
0.7385 Intermediate Similarity NPD7074 Phase 3
0.7333 Intermediate Similarity NPD7054 Approved
0.7296 Intermediate Similarity NPD7472 Approved
0.7249 Intermediate Similarity NPD8455 Phase 2
0.7236 Intermediate Similarity NPD8313 Approved
0.7236 Intermediate Similarity NPD8312 Approved
0.7194 Intermediate Similarity NPD3818 Discontinued
0.7186 Intermediate Similarity NPD7808 Phase 3
0.7173 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD5844 Phase 1
0.7143 Intermediate Similarity NPD7473 Discontinued
0.7143 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7685 Pre-registration
0.7136 Intermediate Similarity NPD7251 Discontinued
0.7136 Intermediate Similarity NPD6559 Discontinued
0.71 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD6166 Phase 2
0.7085 Intermediate Similarity NPD6797 Phase 2
0.7085 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD6232 Discontinued
0.7073 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7266 Discontinued
0.6985 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8151 Discontinued
0.6943 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6919 Remote Similarity NPD6674 Discontinued
0.6919 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6895 Remote Similarity NPD1653 Approved
0.6891 Remote Similarity NPD1465 Phase 2
0.6853 Remote Similarity NPD8127 Discontinued
0.6835 Remote Similarity NPD8152 Approved
0.6835 Remote Similarity NPD8153 Approved
0.6804 Remote Similarity NPD7827 Phase 1
0.6786 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6778 Remote Similarity NPD3027 Phase 3
0.6758 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7783 Phase 2
0.6753 Remote Similarity NPD1934 Approved
0.6749 Remote Similarity NPD5953 Discontinued
0.6738 Remote Similarity NPD1652 Phase 2
0.6734 Remote Similarity NPD3787 Discontinued
0.6733 Remote Similarity NPD7286 Phase 2
0.6718 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6718 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6717 Remote Similarity NPD5494 Approved
0.6684 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6683 Remote Similarity NPD6842 Approved
0.6683 Remote Similarity NPD6843 Phase 3
0.6683 Remote Similarity NPD6959 Discontinued
0.6683 Remote Similarity NPD6841 Approved
0.6667 Remote Similarity NPD1613 Approved
0.6667 Remote Similarity NPD2862 Discontinued
0.6667 Remote Similarity NPD7435 Discontinued
0.6667 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6633 Remote Similarity NPD7819 Suspended
0.6633 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6632 Remote Similarity NPD7440 Discontinued
0.6614 Remote Similarity NPD8166 Discontinued
0.6601 Remote Similarity NPD3751 Discontinued
0.6599 Remote Similarity NPD8443 Clinical (unspecified phase)
0.659 Remote Similarity NPD7696 Phase 3
0.659 Remote Similarity NPD7698 Approved
0.659 Remote Similarity NPD7697 Approved
0.6579 Remote Similarity NPD6190 Approved
0.6566 Remote Similarity NPD3882 Suspended
0.6564 Remote Similarity NPD4380 Phase 2
0.6561 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6561 Remote Similarity NPD7874 Approved
0.656 Remote Similarity NPD8319 Approved
0.656 Remote Similarity NPD8320 Phase 1
0.656 Remote Similarity NPD7871 Phase 2
0.656 Remote Similarity NPD7870 Phase 2
0.6559 Remote Similarity NPD7097 Phase 1
0.6559 Remote Similarity NPD5886 Approved
0.6559 Remote Similarity NPD41 Approved
0.6548 Remote Similarity NPD2801 Approved
0.6545 Remote Similarity NPD7701 Phase 2
0.6544 Remote Similarity NPD6823 Phase 2
0.6533 Remote Similarity NPD6971 Discontinued
0.6533 Remote Similarity NPD7075 Discontinued
0.6528 Remote Similarity NPD6776 Approved
0.6528 Remote Similarity NPD6778 Approved
0.6528 Remote Similarity NPD6779 Approved
0.6528 Remote Similarity NPD6782 Approved
0.6528 Remote Similarity NPD6780 Approved
0.6528 Remote Similarity NPD6781 Approved
0.6528 Remote Similarity NPD6777 Approved
0.6515 Remote Similarity NPD3817 Phase 2
0.6502 Remote Similarity NPD8462 Phase 1
0.6495 Remote Similarity NPD8012 Clinical (unspecified phase)
0.6489 Remote Similarity NPD2531 Phase 2
0.6482 Remote Similarity NPD7768 Phase 2
0.648 Remote Similarity NPD7028 Phase 2
0.6477 Remote Similarity NPD2532 Approved
0.6477 Remote Similarity NPD2534 Approved
0.6477 Remote Similarity NPD2533 Approved
0.6476 Remote Similarity NPD8150 Discontinued
0.6476 Remote Similarity NPD8434 Phase 2
0.6467 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6457 Remote Similarity NPD7801 Approved
0.645 Remote Similarity NPD3749 Approved
0.6449 Remote Similarity NPD2746 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7539 Clinical (unspecified phase)
0.6449 Remote Similarity NPD2745 Approved
0.6448 Remote Similarity NPD4908 Phase 1
0.6448 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6447 Remote Similarity NPD7615 Clinical (unspecified phase)
0.644 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6435 Remote Similarity NPD7700 Phase 2
0.6435 Remote Similarity NPD7699 Phase 2
0.6432 Remote Similarity NPD7296 Approved
0.6429 Remote Similarity NPD7458 Discontinued
0.6429 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6422 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6402 Remote Similarity NPD7137 Phase 2
0.6398 Remote Similarity NPD3620 Phase 2
0.6398 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5006 Approved
0.6393 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5005 Approved
0.6382 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6378 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6377 Remote Similarity NPD6597 Approved
0.6377 Remote Similarity NPD6598 Approved
0.6372 Remote Similarity NPD7930 Approved
0.6368 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6355 Discontinued
0.6364 Remote Similarity NPD7411 Suspended
0.6356 Remote Similarity NPD6723 Discontinued
0.6354 Remote Similarity NPD4110 Phase 3
0.6354 Remote Similarity NPD3750 Approved
0.6354 Remote Similarity NPD7976 Clinical (unspecified phase)
0.6354 Remote Similarity NPD4109 Clinical (unspecified phase)
0.635 Remote Similarity NPD5402 Approved
0.6348 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6333 Remote Similarity NPD3705 Approved
0.6318 Remote Similarity NPD7590 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6100 Approved
0.6316 Remote Similarity NPD6099 Approved
0.6316 Remote Similarity NPD2438 Suspended
0.631 Remote Similarity NPD4060 Phase 1
0.6306 Remote Similarity NPD7999 Approved
0.6296 Remote Similarity NPD6534 Approved
0.6296 Remote Similarity NPD6535 Approved
0.6293 Remote Similarity NPD5619 Clinical (unspecified phase)
0.629 Remote Similarity NPD6798 Discontinued
0.6286 Remote Similarity NPD7549 Discontinued
0.6284 Remote Similarity NPD4420 Approved
0.6283 Remote Similarity NPD5763 Approved
0.6283 Remote Similarity NPD3540 Phase 1
0.6283 Remote Similarity NPD5762 Approved
0.6277 Remote Similarity NPD230 Phase 1
0.6277 Remote Similarity NPD4340 Discontinued
0.6276 Remote Similarity NPD6273 Approved
0.6273 Remote Similarity NPD2493 Approved
0.6273 Remote Similarity NPD2494 Approved
0.6269 Remote Similarity NPD4628 Phase 3
0.6261 Remote Similarity NPD4583 Approved
0.6261 Remote Similarity NPD4582 Approved
0.6257 Remote Similarity NPD4404 Approved
0.6257 Remote Similarity NPD6233 Phase 2
0.6257 Remote Similarity NPD6663 Approved
0.6256 Remote Similarity NPD1511 Approved
0.625 Remote Similarity NPD970 Clinical (unspecified phase)
0.625 Remote Similarity NPD6801 Discontinued
0.6239 Remote Similarity NPD7223 Discontinued
0.6239 Remote Similarity NPD7224 Discontinued
0.6238 Remote Similarity NPD6765 Approved
0.6238 Remote Similarity NPD6764 Approved
0.623 Remote Similarity NPD3539 Phase 1
0.6226 Remote Similarity NPD8054 Approved
0.6226 Remote Similarity NPD6734 Clinical (unspecified phase)
0.6226 Remote Similarity NPD8053 Approved
0.6224 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6219 Remote Similarity NPD5929 Approved
0.6216 Remote Similarity NPD4004 Approved
0.6216 Remote Similarity NPD4002 Approved
0.6215 Remote Similarity NPD7906 Approved
0.6207 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6203 Remote Similarity NPD3764 Approved

Structure

External Identifiers

PubChem CID   452548
ChEMBL   CHEMBL452231
ZINC  

Physicochemical Properties

Molecular Weight:  656.16
ALogP:  -2.3208
MLogP:  3.44
XLogP:  1.374
# Rotatable Bonds:  11
Polar Surface Area:  189.07
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  8
# Heavy Atoms:  46

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Biological Activities  
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