Natural Product: NPC94687

Natural Product ID:  NPC94687
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H49NO12
Standard InCHIKey:  MGTJNQWIXFSPLC-HQARQGIISA-N
Standard InCHI:  InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27?,28+,29-,30+,32+,33-,34+,35-/m1/s1
Canonical SMILES:  COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccc(cc3)OC)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)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
NPO10530 Aconitum subcuneatum Species Ranunculaceae Eukaryota HerDing*
NPO13822 Aconitum fischeri Species Ranunculaceae Eukaryota HerDing*
NPO15848 Veratrum nigrum Species Melanthiaceae Eukaryota HerDing*
NPO27267 Veratrum album Species Melanthiaceae Eukaryota HerDing*
NPO4897 Veratrum grandiflorum Species Melanthiaceae Eukaryota HerDing*
NPO9196 Aconitum sachalinense Species Ranunculaceae Eukaryota HerDing*
NPO4902 Aconitum carmichaelii Species Ranunculaceae Eukaryota TM-MC*
NPO4893 Aconitum ciliare Species Ranunculaceae Eukaryota TM-MC*
NPO7490 Aconitum japonicum Species Ranunculaceae Eukaryota TM-MC*
NPO8847 Aconitum kusnezoffii Species Ranunculaceae Eukaryota TM-MC*
NPO14688 Aconitum triphyllum Species Ranunculaceae Eukaryota TM-MC*
NPO10530 Aconitum subcuneatum Species Ranunculaceae Eukaryota TCMID*
NPO4897 Veratrum grandiflorum Species Melanthiaceae Eukaryota TCMID*
NPO27267 Veratrum album Species Melanthiaceae Eukaryota TCMID*
NPO15848 Veratrum nigrum Species Melanthiaceae Eukaryota TCMID*
NPO9196 Aconitum sachalinense Species Ranunculaceae Eukaryota TCMID*
NPO13822 Aconitum fischeri Species Ranunculaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT90 Cell Line DU-145 Homo sapiens GI50 > 20000 nM 25770782
NPT81 Cell Line A549 Homo sapiens GI50 > 20000 nM 25770782
NPT91 Cell Line KB Homo sapiens GI50 > 20000 nM 25770782
NPT2 Others Unspecified GI50 > 20000 nM 25770782

  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 NPC94687 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 NPC106840
1.0 High Similarity NPC476495
0.9946 High Similarity NPC326895
0.9839 High Similarity NPC476496
0.9239 High Similarity NPC108276
0.9239 High Similarity NPC163578
0.9185 High Similarity NPC40539
0.9086 High Similarity NPC281470
0.9086 High Similarity NPC205
0.9086 High Similarity NPC184195
0.9086 High Similarity NPC166521
0.9086 High Similarity NPC172769
0.9086 High Similarity NPC124690
0.8673 High Similarity NPC476500
0.7915 Intermediate Similarity NPC223590
0.7877 Intermediate Similarity NPC140311
0.782 Intermediate Similarity NPC473837
0.7804 Intermediate Similarity NPC106593
0.7767 Intermediate Similarity NPC473667
0.7692 Intermediate Similarity NPC195972
0.7604 Intermediate Similarity NPC161151
0.7602 Intermediate Similarity NPC473486
0.7602 Intermediate Similarity NPC475316
0.7586 Intermediate Similarity NPC33256
0.7574 Intermediate Similarity NPC94499
0.7562 Intermediate Similarity NPC96194
0.7562 Intermediate Similarity NPC299855
0.7557 Intermediate Similarity NPC35390
0.7557 Intermediate Similarity NPC473781
0.7557 Intermediate Similarity NPC470631
0.755 Intermediate Similarity NPC162694
0.7536 Intermediate Similarity NPC67346
0.7525 Intermediate Similarity NPC189704
0.75 Intermediate Similarity NPC308709
0.7488 Intermediate Similarity NPC476067
0.7488 Intermediate Similarity NPC475121
0.7487 Intermediate Similarity NPC229234
0.7463 Intermediate Similarity NPC473205
0.7463 Intermediate Similarity NPC66909
0.7463 Intermediate Similarity NPC473776
0.7462 Intermediate Similarity NPC148185
0.7462 Intermediate Similarity NPC35680
0.7452 Intermediate Similarity NPC43069
0.7452 Intermediate Similarity NPC140577
0.7452 Intermediate Similarity NPC97086
0.7451 Intermediate Similarity NPC230670
0.7451 Intermediate Similarity NPC71385
0.7449 Intermediate Similarity NPC202428
0.7449 Intermediate Similarity NPC266545
0.7437 Intermediate Similarity NPC473562
0.7436 Intermediate Similarity NPC200726
0.743 Intermediate Similarity NPC315253
0.7429 Intermediate Similarity NPC80472
0.7415 Intermediate Similarity NPC112708
0.7413 Intermediate Similarity NPC214629
0.7404 Intermediate Similarity NPC311781
0.7398 Intermediate Similarity NPC177362
0.7394 Intermediate Similarity NPC119252
0.7379 Intermediate Similarity NPC473711
0.7379 Intermediate Similarity NPC475299
0.7368 Intermediate Similarity NPC286135
0.7368 Intermediate Similarity NPC232533
0.735 Intermediate Similarity NPC305847
0.7346 Intermediate Similarity NPC314946
0.7333 Intermediate Similarity NPC120012
0.7321 Intermediate Similarity NPC64576
0.7321 Intermediate Similarity NPC201055
0.7321 Intermediate Similarity NPC151470
0.7321 Intermediate Similarity NPC254045
0.7313 Intermediate Similarity NPC302449
0.7291 Intermediate Similarity NPC186746
0.7291 Intermediate Similarity NPC230098
0.7286 Intermediate Similarity NPC243483
0.7286 Intermediate Similarity NPC477617
0.7286 Intermediate Similarity NPC244191
0.7277 Intermediate Similarity NPC475566
0.7264 Intermediate Similarity NPC115906
0.7264 Intermediate Similarity NPC475613
0.7264 Intermediate Similarity NPC298339
0.7263 Intermediate Similarity NPC48671
0.726 Intermediate Similarity NPC83019
0.7259 Intermediate Similarity NPC469458
0.7259 Intermediate Similarity NPC149002
0.7259 Intermediate Similarity NPC469396
0.7259 Intermediate Similarity NPC88176
0.7255 Intermediate Similarity NPC141440
0.725 Intermediate Similarity NPC473467
0.725 Intermediate Similarity NPC329816
0.725 Intermediate Similarity NPC475197
0.7246 Intermediate Similarity NPC174783
0.7243 Intermediate Similarity NPC293347
0.7238 Intermediate Similarity NPC316164
0.7236 Intermediate Similarity NPC472803
0.7231 Intermediate Similarity NPC35345
0.723 Intermediate Similarity NPC157958
0.723 Intermediate Similarity NPC258128
0.7228 Intermediate Similarity NPC206061
0.7225 Intermediate Similarity NPC42286
0.7222 Intermediate Similarity NPC118086
0.722 Intermediate Similarity NPC476436
0.7212 Intermediate Similarity NPC476429
0.7212 Intermediate Similarity NPC204580
0.7211 Intermediate Similarity NPC261659
0.7208 Intermediate Similarity NPC310572
0.7202 Intermediate Similarity NPC195954
0.7202 Intermediate Similarity NPC194499
0.7202 Intermediate Similarity NPC88007
0.7202 Intermediate Similarity NPC476750
0.7196 Intermediate Similarity NPC279442
0.7194 Intermediate Similarity NPC477491
0.7188 Intermediate Similarity NPC318447
0.7188 Intermediate Similarity NPC322048
0.7186 Intermediate Similarity NPC475237
0.7186 Intermediate Similarity NPC475641
0.7186 Intermediate Similarity NPC329992
0.7186 Intermediate Similarity NPC21956
0.7179 Intermediate Similarity NPC79571
0.7179 Intermediate Similarity NPC5741
0.7172 Intermediate Similarity NPC469459
0.7171 Intermediate Similarity NPC469437
0.7166 Intermediate Similarity NPC478263
0.7158 Intermediate Similarity NPC327962
0.7158 Intermediate Similarity NPC472548
0.7157 Intermediate Similarity NPC188217
0.7157 Intermediate Similarity NPC277618
0.715 Intermediate Similarity NPC329969
0.715 Intermediate Similarity NPC476784
0.715 Intermediate Similarity NPC11708
0.715 Intermediate Similarity NPC79130
0.715 Intermediate Similarity NPC314596
0.715 Intermediate Similarity NPC472807
0.7143 Intermediate Similarity NPC325032
0.7143 Intermediate Similarity NPC477483
0.7136 Intermediate Similarity NPC88378
0.7136 Intermediate Similarity NPC286809
0.7136 Intermediate Similarity NPC471860
0.7136 Intermediate Similarity NPC211713
0.7136 Intermediate Similarity NPC169605
0.7135 Intermediate Similarity NPC323001
0.7135 Intermediate Similarity NPC326235
0.7135 Intermediate Similarity NPC70344
0.7129 Intermediate Similarity NPC294149
0.7129 Intermediate Similarity NPC279665
0.7129 Intermediate Similarity NPC469438
0.7129 Intermediate Similarity NPC36607
0.7128 Intermediate Similarity NPC253738
0.7128 Intermediate Similarity NPC478124
0.7128 Intermediate Similarity NPC8389
0.712 Intermediate Similarity NPC471135
0.712 Intermediate Similarity NPC231668
0.7114 Intermediate Similarity NPC94763
0.7113 Intermediate Similarity NPC309991
0.7113 Intermediate Similarity NPC326328
0.7113 Intermediate Similarity NPC323356
0.7113 Intermediate Similarity NPC471138
0.7112 Intermediate Similarity NPC478264
0.7109 Intermediate Similarity NPC313274
0.7108 Intermediate Similarity NPC254588
0.7108 Intermediate Similarity NPC108191
0.7108 Intermediate Similarity NPC93685
0.7107 Intermediate Similarity NPC473468
0.7107 Intermediate Similarity NPC475567
0.7107 Intermediate Similarity NPC473557
0.7107 Intermediate Similarity NPC30171
0.7103 Intermediate Similarity NPC126211
0.7103 Intermediate Similarity NPC475768
0.7094 Intermediate Similarity NPC469397
0.7094 Intermediate Similarity NPC11062
0.7092 Intermediate Similarity NPC68848
0.7089 Intermediate Similarity NPC235698
0.7085 Intermediate Similarity NPC477488
0.7083 Intermediate Similarity NPC473632
0.7083 Intermediate Similarity NPC473611
0.7083 Intermediate Similarity NPC132599
0.7083 Intermediate Similarity NPC46990
0.7083 Intermediate Similarity NPC469730
0.7083 Intermediate Similarity NPC472549
0.7079 Intermediate Similarity NPC309692
0.7077 Intermediate Similarity NPC268602
0.7077 Intermediate Similarity NPC26353
0.7074 Intermediate Similarity NPC312393
0.7071 Intermediate Similarity NPC475531
0.7071 Intermediate Similarity NPC109990
0.7071 Intermediate Similarity NPC475198
0.7071 Intermediate Similarity NPC471861
0.7071 Intermediate Similarity NPC475175
0.7068 Intermediate Similarity NPC477905
0.7062 Intermediate Similarity NPC159692
0.7062 Intermediate Similarity NPC319404
0.7059 Intermediate Similarity NPC82056
0.7056 Intermediate Similarity NPC293568
0.7056 Intermediate Similarity NPC285567
0.7056 Intermediate Similarity NPC283209
0.7056 Intermediate Similarity NPC266365
0.7056 Intermediate Similarity NPC117943
0.7056 Intermediate Similarity NPC314941
0.7053 Intermediate Similarity NPC476173
0.705 Intermediate Similarity NPC477115
0.7048 Intermediate Similarity NPC477397
0.7047 Intermediate Similarity NPC253201

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC94687 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
0.957 High Similarity NPD7497 Discontinued
0.7536 Intermediate Similarity NPD3057 Approved
0.7524 Intermediate Similarity NPD4107 Approved
0.7512 Intermediate Similarity NPD7907 Approved
0.7463 Intermediate Similarity NPD2974 Approved
0.7463 Intermediate Similarity NPD2973 Approved
0.7463 Intermediate Similarity NPD2975 Approved
0.7452 Intermediate Similarity NPD3533 Approved
0.7452 Intermediate Similarity NPD2972 Approved
0.7443 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD4580 Approved
0.7419 Intermediate Similarity NPD4111 Phase 1
0.7419 Intermediate Similarity NPD4665 Approved
0.7404 Intermediate Similarity NPD2493 Approved
0.7404 Intermediate Similarity NPD2494 Approved
0.7404 Intermediate Similarity NPD4482 Phase 3
0.7381 Intermediate Similarity NPD4582 Approved
0.7381 Intermediate Similarity NPD4583 Approved
0.7376 Intermediate Similarity NPD7906 Approved
0.7368 Intermediate Similarity NPD2491 Approved
0.735 Intermediate Similarity NPD7312 Approved
0.735 Intermediate Similarity NPD7313 Approved
0.735 Intermediate Similarity NPD7310 Approved
0.735 Intermediate Similarity NPD7311 Approved
0.7336 Intermediate Similarity NPD5676 Approved
0.7333 Intermediate Similarity NPD4004 Approved
0.7333 Intermediate Similarity NPD4002 Approved
0.7321 Intermediate Similarity NPD3452 Approved
0.7321 Intermediate Similarity NPD3450 Approved
0.7313 Intermediate Similarity NPD7309 Approved
0.7304 Intermediate Similarity NPD2488 Approved
0.7304 Intermediate Similarity NPD2490 Approved
0.7296 Intermediate Similarity NPD4481 Phase 3
0.7286 Intermediate Similarity NPD3448 Approved
0.7282 Intermediate Similarity NPD3051 Approved
0.7281 Intermediate Similarity NPD7047 Phase 3
0.7277 Intermediate Similarity NPD7701 Phase 2
0.7264 Intermediate Similarity NPD2971 Approved
0.7264 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD2968 Approved
0.7245 Intermediate Similarity NPD2969 Approved
0.7245 Intermediate Similarity NPD2970 Approved
0.7241 Intermediate Similarity NPD4663 Approved
0.724 Intermediate Similarity NPD6997 Phase 2
0.7183 Intermediate Similarity NPD7999 Approved
0.7121 Intermediate Similarity NPD2489 Approved
0.7121 Intermediate Similarity NPD27 Approved
0.7108 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD4578 Approved
0.7094 Intermediate Similarity NPD4577 Approved
0.7091 Intermediate Similarity NPD8404 Phase 2
0.7083 Intermediate Similarity NPD6386 Approved
0.7083 Intermediate Similarity NPD6385 Approved
0.7078 Intermediate Similarity NPD7930 Approved
0.7056 Intermediate Similarity NPD8320 Phase 1
0.7056 Intermediate Similarity NPD8127 Discontinued
0.7056 Intermediate Similarity NPD8319 Approved
0.702 Intermediate Similarity NPD7315 Approved
0.7014 Intermediate Similarity NPD5980 Discovery
0.7013 Intermediate Similarity NPD7048 Phase 3
0.7005 Intermediate Similarity NPD8435 Approved
0.7005 Intermediate Similarity NPD8361 Approved
0.7005 Intermediate Similarity NPD8360 Approved
0.7 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7685 Pre-registration
0.6981 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6981 Remote Similarity NPD8285 Discontinued
0.6977 Remote Similarity NPD4040 Phase 1
0.6976 Remote Similarity NPD8407 Phase 2
0.6972 Remote Similarity NPD7874 Approved
0.6972 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6964 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7783 Phase 2
0.6941 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6912 Remote Similarity NPD8368 Discontinued
0.6908 Remote Similarity NPD8434 Phase 2
0.6908 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6888 Remote Similarity NPD5353 Approved
0.6887 Remote Similarity NPD8485 Approved
0.6884 Remote Similarity NPD5006 Approved
0.6884 Remote Similarity NPD5005 Approved
0.6881 Remote Similarity NPD7799 Discontinued
0.6878 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6878 Remote Similarity NPD7549 Discontinued
0.6872 Remote Similarity NPD7577 Discontinued
0.6869 Remote Similarity NPD6778 Approved
0.6869 Remote Similarity NPD6780 Approved
0.6869 Remote Similarity NPD6782 Approved
0.6869 Remote Similarity NPD6777 Approved
0.6869 Remote Similarity NPD6781 Approved
0.6869 Remote Similarity NPD6776 Approved
0.6869 Remote Similarity NPD6779 Approved
0.6866 Remote Similarity NPD2898 Approved
0.6864 Remote Similarity NPD7801 Approved
0.6854 Remote Similarity NPD4420 Approved
0.6852 Remote Similarity NPD7697 Approved
0.6852 Remote Similarity NPD7696 Phase 3
0.6852 Remote Similarity NPD7698 Approved
0.6829 Remote Similarity NPD7038 Approved
0.6829 Remote Similarity NPD7039 Approved
0.6827 Remote Similarity NPD8150 Discontinued
0.6823 Remote Similarity NPD6273 Approved
0.6822 Remote Similarity NPD7811 Phase 3
0.6822 Remote Similarity NPD7810 Phase 3
0.6821 Remote Similarity NPD6677 Suspended
0.682 Remote Similarity NPD7871 Phase 2
0.682 Remote Similarity NPD7870 Phase 2
0.6816 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6812 Remote Similarity NPD8059 Phase 3
0.6812 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6812 Remote Similarity NPD7090 Clinical (unspecified phase)
0.681 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7177 Discontinued
0.6791 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7296 Approved
0.6774 Remote Similarity NPD7435 Discontinued
0.6773 Remote Similarity NPD8151 Discontinued
0.6765 Remote Similarity NPD5844 Phase 1
0.6754 Remote Similarity NPD7236 Approved
0.6753 Remote Similarity NPD7239 Suspended
0.6744 Remote Similarity NPD7565 Approved
0.6737 Remote Similarity NPD4628 Phase 3
0.6728 Remote Similarity NPD6823 Phase 2
0.6717 Remote Similarity NPD5978 Approved
0.6717 Remote Similarity NPD5977 Approved
0.6714 Remote Similarity NPD4360 Phase 2
0.6714 Remote Similarity NPD4363 Phase 3
0.6712 Remote Similarity NPD8161 Suspended
0.6701 Remote Similarity NPD6844 Discontinued
0.6699 Remote Similarity NPD5036 Approved
0.6698 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6698 Remote Similarity NPD7699 Phase 2
0.6698 Remote Similarity NPD7700 Phase 2
0.6682 Remote Similarity NPD7827 Phase 1
0.6667 Remote Similarity NPD6667 Approved
0.6667 Remote Similarity NPD6666 Approved
0.6667 Remote Similarity NPD6764 Approved
0.6667 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5761 Phase 2
0.6667 Remote Similarity NPD6212 Phase 3
0.6667 Remote Similarity NPD5038 Approved
0.6667 Remote Similarity NPD5037 Approved
0.6667 Remote Similarity NPD6213 Phase 3
0.6667 Remote Similarity NPD6765 Approved
0.6667 Remote Similarity NPD5760 Phase 2
0.6667 Remote Similarity NPD5039 Approved
0.6651 Remote Similarity NPD7238 Clinical (unspecified phase)
0.665 Remote Similarity NPD6873 Phase 2
0.665 Remote Similarity NPD5242 Approved
0.665 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6534 Approved
0.6636 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6535 Approved
0.6634 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6615 Remote Similarity NPD7427 Discontinued
0.6606 Remote Similarity NPD7583 Approved
0.6601 Remote Similarity NPD5711 Approved
0.6601 Remote Similarity NPD5710 Approved
0.66 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6583 Remote Similarity NPD7819 Suspended
0.6579 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6577 Remote Similarity NPD7585 Approved
0.657 Remote Similarity NPD4956 Approved
0.6567 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6567 Remote Similarity NPD7831 Phase 2
0.6567 Remote Similarity NPD7833 Phase 2
0.6562 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6561 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6553 Remote Similarity NPD6620 Discovery
0.6553 Remote Similarity NPD7228 Approved
0.6552 Remote Similarity NPD7199 Phase 2
0.6548 Remote Similarity NPD7458 Discontinued
0.654 Remote Similarity NPD6785 Approved
0.654 Remote Similarity NPD6784 Approved
0.6535 Remote Similarity NPD6315 Phase 2
0.6532 Remote Similarity NPD7584 Approved
0.6528 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6528 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6528 Remote Similarity NPD4361 Phase 2
0.6526 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6625 Approved
0.6524 Remote Similarity NPD2238 Phase 2
0.6515 Remote Similarity NPD4380 Phase 2
0.6513 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6513 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6509 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6507 Remote Similarity NPD5030 Phase 2
0.65 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6495 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6493 Remote Similarity NPD8053 Approved
0.6493 Remote Similarity NPD8054 Approved
0.6485 Remote Similarity NPD7075 Discontinued
0.6481 Remote Similarity NPD8491 Approved
0.6479 Remote Similarity NPD7693 Approved
0.6476 Remote Similarity NPD5026 Approved
0.6476 Remote Similarity NPD4954 Approved
0.6476 Remote Similarity NPD5028 Approved
0.6476 Remote Similarity NPD36 Approved

Structure

External Identifiers

PubChem CID   441741
ChEMBL   CHEMBL3400307
ZINC  

Physicochemical Properties

Molecular Weight:  675.33
ALogP:  -3.3273
MLogP:  3.88
XLogP:  -0.557
# Rotatable Bonds:  22
Polar Surface Area:  162.68
# H-Bond Aceptor:  13
# H-Bond Donor:  3
# Rings:  7
# Heavy Atoms:  48

Download Data

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Biological Activities  
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