Natural Product: NPC308906

Natural Product ID:  NPC308906
Common Name:   Isonaamidine E
IUPAC Name:   5-[[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]amino]-3-methylimidazole-2,4-dione
Synonyms:   Isonaamidine E
Molecular Formula:   C24H25N5O5
Standard InCHIKey:  IAZXKPUWJIHMFV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C24H25N5O5/c1-28-22(30)21(27-24(28)31)26-23-25-17(11-16-7-10-19(33-3)20(12-16)34-4)14-29(23)13-15-5-8-18(32-2)9-6-15/h5-10,12,14H,11,13H2,1-4H3,(H,25,26,27,31)
Canonical SMILES:  COc1ccc(cc1)Cn1cc(nc1N=C1N=C(N(C1=O)C)O)Cc1ccc(c(c1)OC)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
NPO28968 Teucrium flavum Species Lamiaceae Eukaryota UNPD*
NPO29065 Hypoxis rooperi Species Hypoxidaceae Eukaryota UNPD*
NPO29238 Heterocondylus vitalbae Species Asteraceae Eukaryota UNPD*
NPO24421.1 Agave salmiana var. ferox Varieties Asparagaceae Eukaryota UNPD*
NPO29473 Amycolatopsis mediterranei Species Pseudonocardiaceae Bacteria UNPD*
NPO29043 Hypoxylon oceanicum Species Xylariaceae Eukaryota UNPD*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota UNPD*
NPO644 Pseudopestalotiopsis theae Species Sporocadaceae Eukaryota UNPD*
NPO29255 Salvia chinensis Species Lamiaceae Eukaryota UNPD*
NPO28861 Cladonia graciliformis Species Cladoniaceae Eukaryota UNPD*
NPO29124 Argemone squarrosa Species Papaveraceae Eukaryota UNPD*
NPO29470 Anhalonium fissuratum NA NA NA UNPD*
NPO29509 Leucetta chagosensis Species Leucettidae Eukaryota UNPD*
NPO29025 Streptomyces nojiriensis Species Streptomycetaceae Bacteria UNPD*
NPO29434 Centaurea involucrata Species Asteraceae Eukaryota UNPD*
NPO24342 Lupinus albus Species Fabaceae Eukaryota UNPD*
NPO17683 Cryptocarya moschata Species Lauraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified GI50 = 7 ug/ml 12193030
NPT65 Cell Line HepG2 Homo sapiens GI50 = 7 ug/ml 12193030
NPT1229 Cell Line Huh-7 Homo sapiens GI50 = 1.3 ug/ml 12193030

  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 NPC308906 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
0.934 High Similarity NPC242923
0.9204 High Similarity NPC12100
0.866 High Similarity NPC17305
0.8654 High Similarity NPC136924
0.8531 High Similarity NPC46970
0.8485 Intermediate Similarity NPC280638
0.8341 Intermediate Similarity NPC467439
0.8279 Intermediate Similarity NPC35761
0.8214 Intermediate Similarity NPC477795
0.8214 Intermediate Similarity NPC477806
0.8214 Intermediate Similarity NPC477805
0.8214 Intermediate Similarity NPC477796
0.8165 Intermediate Similarity NPC237978
0.75 Intermediate Similarity NPC133140
0.75 Intermediate Similarity NPC195268
0.7456 Intermediate Similarity NPC160666
0.7426 Intermediate Similarity NPC472031
0.7426 Intermediate Similarity NPC472067
0.7426 Intermediate Similarity NPC472066
0.7418 Intermediate Similarity NPC477019
0.7382 Intermediate Similarity NPC471614
0.7371 Intermediate Similarity NPC4071
0.7371 Intermediate Similarity NPC476578
0.7371 Intermediate Similarity NPC476582
0.7342 Intermediate Similarity NPC472068
0.7325 Intermediate Similarity NPC323244
0.7324 Intermediate Similarity NPC127085
0.7294 Intermediate Similarity NPC313189
0.7281 Intermediate Similarity NPC36229
0.7281 Intermediate Similarity NPC16452
0.7281 Intermediate Similarity NPC476581
0.7265 Intermediate Similarity NPC30540
0.726 Intermediate Similarity NPC82548
0.7252 Intermediate Similarity NPC266931
0.7227 Intermediate Similarity NPC174758
0.7215 Intermediate Similarity NPC135549
0.7207 Intermediate Similarity NPC202768
0.7207 Intermediate Similarity NPC296482
0.7207 Intermediate Similarity NPC112206
0.7207 Intermediate Similarity NPC53069
0.7207 Intermediate Similarity NPC202605
0.7202 Intermediate Similarity NPC210256
0.7198 Intermediate Similarity NPC328924
0.7195 Intermediate Similarity NPC113369
0.7195 Intermediate Similarity NPC290689
0.7143 Intermediate Similarity NPC31930
0.7137 Intermediate Similarity NPC54066
0.713 Intermediate Similarity NPC96405
0.713 Intermediate Similarity NPC171409
0.7106 Intermediate Similarity NPC295228
0.7098 Intermediate Similarity NPC236668
0.7097 Intermediate Similarity NPC234197
0.7078 Intermediate Similarity NPC475774
0.7067 Intermediate Similarity NPC146976
0.7054 Intermediate Similarity NPC471603
0.7035 Intermediate Similarity NPC274982
0.7018 Intermediate Similarity NPC250178
0.6996 Remote Similarity NPC174672
0.6978 Remote Similarity NPC251160
0.6966 Remote Similarity NPC115595
0.6953 Remote Similarity NPC187145
0.6949 Remote Similarity NPC220852
0.6947 Remote Similarity NPC149471
0.6947 Remote Similarity NPC271215
0.6941 Remote Similarity NPC176538
0.692 Remote Similarity NPC253675
0.6909 Remote Similarity NPC54537
0.6909 Remote Similarity NPC232727
0.6903 Remote Similarity NPC316981
0.6888 Remote Similarity NPC171393
0.6888 Remote Similarity NPC295452
0.6862 Remote Similarity NPC285343
0.6849 Remote Similarity NPC208898
0.6846 Remote Similarity NPC99891
0.684 Remote Similarity NPC174049
0.6834 Remote Similarity NPC13397
0.6829 Remote Similarity NPC56271
0.6827 Remote Similarity NPC312872
0.6826 Remote Similarity NPC473822
0.6826 Remote Similarity NPC23614
0.6826 Remote Similarity NPC100079
0.682 Remote Similarity NPC307963
0.6818 Remote Similarity NPC39092
0.6814 Remote Similarity NPC123976
0.6814 Remote Similarity NPC167860
0.6814 Remote Similarity NPC188420
0.681 Remote Similarity NPC181905
0.6802 Remote Similarity NPC295898
0.6802 Remote Similarity NPC211813
0.68 Remote Similarity NPC476465
0.68 Remote Similarity NPC287208
0.6797 Remote Similarity NPC213530
0.6797 Remote Similarity NPC46451
0.6797 Remote Similarity NPC193267
0.6792 Remote Similarity NPC28945
0.6789 Remote Similarity NPC51854
0.6781 Remote Similarity NPC122463
0.6774 Remote Similarity NPC79213
0.6771 Remote Similarity NPC476138
0.6771 Remote Similarity NPC53144
0.6771 Remote Similarity NPC245816
0.6753 Remote Similarity NPC204446
0.6752 Remote Similarity NPC130570
0.6748 Remote Similarity NPC9729
0.6738 Remote Similarity NPC60621
0.6736 Remote Similarity NPC172222
0.6728 Remote Similarity NPC92111
0.6723 Remote Similarity NPC201508
0.6713 Remote Similarity NPC472289
0.6712 Remote Similarity NPC25897
0.6711 Remote Similarity NPC54981
0.6709 Remote Similarity NPC280272
0.6709 Remote Similarity NPC315822
0.6709 Remote Similarity NPC210434
0.6698 Remote Similarity NPC204385
0.6696 Remote Similarity NPC235076
0.6696 Remote Similarity NPC223427
0.6682 Remote Similarity NPC76748
0.6682 Remote Similarity NPC251090
0.6681 Remote Similarity NPC173080
0.6681 Remote Similarity NPC24019
0.668 Remote Similarity NPC303374
0.6667 Remote Similarity NPC110151
0.6667 Remote Similarity NPC310118
0.6667 Remote Similarity NPC96584
0.6667 Remote Similarity NPC206201
0.6667 Remote Similarity NPC141053
0.6667 Remote Similarity NPC478006
0.6667 Remote Similarity NPC150447
0.6667 Remote Similarity NPC285558
0.6667 Remote Similarity NPC255800
0.6667 Remote Similarity NPC22481
0.6653 Remote Similarity NPC26543
0.6652 Remote Similarity NPC17565
0.6652 Remote Similarity NPC476287
0.6652 Remote Similarity NPC282247
0.6652 Remote Similarity NPC267928
0.6641 Remote Similarity NPC315467
0.664 Remote Similarity NPC314882
0.6638 Remote Similarity NPC118121
0.6638 Remote Similarity NPC473513
0.6637 Remote Similarity NPC315957
0.6636 Remote Similarity NPC296527
0.6627 Remote Similarity NPC63109
0.6624 Remote Similarity NPC319232
0.6624 Remote Similarity NPC24370
0.6623 Remote Similarity NPC469589
0.6622 Remote Similarity NPC239954
0.6615 Remote Similarity NPC478009
0.6612 Remote Similarity NPC108342
0.6611 Remote Similarity NPC278525
0.661 Remote Similarity NPC122436
0.6609 Remote Similarity NPC303658
0.6609 Remote Similarity NPC26679
0.6598 Remote Similarity NPC323752
0.6597 Remote Similarity NPC157931
0.6596 Remote Similarity NPC473317
0.6595 Remote Similarity NPC170114
0.6594 Remote Similarity NPC85273
0.6593 Remote Similarity NPC475070
0.6592 Remote Similarity NPC287437
0.6591 Remote Similarity NPC198673
0.6584 Remote Similarity NPC189903
0.6584 Remote Similarity NPC182907
0.6582 Remote Similarity NPC125597
0.658 Remote Similarity NPC162530
0.6579 Remote Similarity NPC71238
0.6578 Remote Similarity NPC199277
0.6578 Remote Similarity NPC135887
0.6577 Remote Similarity NPC224928
0.6575 Remote Similarity NPC41982
0.6571 Remote Similarity NPC210296
0.6571 Remote Similarity NPC217554
0.6571 Remote Similarity NPC85482
0.657 Remote Similarity NPC223223
0.6569 Remote Similarity NPC314954
0.6569 Remote Similarity NPC471762
0.6567 Remote Similarity NPC238945
0.6564 Remote Similarity NPC472111
0.6559 Remote Similarity NPC284141
0.6557 Remote Similarity NPC166722
0.6557 Remote Similarity NPC101350
0.6556 Remote Similarity NPC469554
0.6552 Remote Similarity NPC470549
0.655 Remote Similarity NPC185782
0.6549 Remote Similarity NPC200836
0.6547 Remote Similarity NPC168911
0.6545 Remote Similarity NPC99666
0.6542 Remote Similarity NPC271792
0.654 Remote Similarity NPC65277
0.6537 Remote Similarity NPC314056
0.6535 Remote Similarity NPC74619
0.6524 Remote Similarity NPC8022
0.6524 Remote Similarity NPC470799
0.6522 Remote Similarity NPC470020
0.6522 Remote Similarity NPC11464
0.6518 Remote Similarity NPC316756
0.6516 Remote Similarity NPC235685
0.6502 Remote Similarity NPC90875
0.6498 Remote Similarity NPC20249

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC308906 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
0.8093 Intermediate Similarity NPD6856 Discontinued
0.8028 Intermediate Similarity NPD4132 Clinical (unspecified phase)
0.8018 Intermediate Similarity NPD4080 Discontinued
0.8009 Intermediate Similarity NPD4048 Approved
0.7926 Intermediate Similarity NPD3590 Clinical (unspecified phase)
0.7864 Intermediate Similarity NPD5703 Discontinued
0.782 Intermediate Similarity NPD2060 Approved
0.7725 Intermediate Similarity NPD7588 Discontinued
0.7706 Intermediate Similarity NPD7980 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD949 Phase 1
0.7626 Intermediate Similarity NPD2530 Phase 2
0.7621 Intermediate Similarity NPD6223 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD7758 Approved
0.7598 Intermediate Similarity NPD7757 Approved
0.7588 Intermediate Similarity NPD3838 Phase 3
0.7586 Intermediate Similarity NPD5107 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD6643 Discontinued
0.7525 Intermediate Similarity NPD2599 Approved
0.7525 Intermediate Similarity NPD2601 Approved
0.7525 Intermediate Similarity NPD2600 Approved
0.75 Intermediate Similarity NPD3924 Approved
0.75 Intermediate Similarity NPD3922 Approved
0.75 Intermediate Similarity NPD3923 Approved
0.75 Intermediate Similarity NPD7705 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3921 Approved
0.7467 Intermediate Similarity NPD3938 Phase 1
0.7457 Intermediate Similarity NPD2929 Clinical (unspecified phase)
0.7437 Intermediate Similarity NPD6743 Phase 2
0.7437 Intermediate Similarity NPD6742 Phase 2
0.7436 Intermediate Similarity NPD7620 Phase 2
0.7412 Intermediate Similarity NPD6708 Discontinued
0.7393 Intermediate Similarity NPD6473 Phase 1
0.7382 Intermediate Similarity NPD7117 Phase 2
0.7382 Intermediate Similarity NPD6537 Approved
0.7382 Intermediate Similarity NPD6536 Approved
0.7378 Intermediate Similarity NPD1954 Phase 1
0.7345 Intermediate Similarity NPD5045 Phase 2
0.7339 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD5529 Phase 1
0.7319 Intermediate Similarity NPD5833 Phase 1
0.7311 Intermediate Similarity NPD4558 Phase 2
0.7303 Intermediate Similarity NPD8442 Discontinued
0.7296 Intermediate Similarity NPD5920 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD2757 Phase 2
0.7264 Intermediate Similarity NPD2769 Approved
0.7254 Intermediate Similarity NPD5116 Phase 1
0.7241 Intermediate Similarity NPD4306 Phase 1
0.7234 Intermediate Similarity NPD5905 Phase 1
0.7215 Intermediate Similarity NPD2885 Approved
0.7215 Intermediate Similarity NPD2886 Approved
0.7209 Intermediate Similarity NPD3541 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6243 Phase 3
0.7208 Intermediate Similarity NPD6244 Phase 3
0.7207 Intermediate Similarity NPD3816 Phase 1
0.7207 Intermediate Similarity NPD3815 Phase 1
0.72 Intermediate Similarity NPD7689 Approved
0.7197 Intermediate Similarity NPD7898 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD7897 Phase 3
0.7191 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD2412 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD978 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD1882 Phase 2
0.7168 Intermediate Similarity NPD6500 Approved
0.7168 Intermediate Similarity NPD6501 Approved
0.7162 Intermediate Similarity NPD2540 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD4131 Phase 3
0.7155 Intermediate Similarity NPD4996 Approved
0.7155 Intermediate Similarity NPD4995 Approved
0.7143 Intermediate Similarity NPD6528 Phase 1
0.7137 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD8287 Phase 1
0.7137 Intermediate Similarity NPD8288 Phase 2
0.7131 Intermediate Similarity NPD8049 Phase 2
0.7131 Intermediate Similarity NPD6848 Phase 1
0.712 Intermediate Similarity NPD3254 Phase 1
0.712 Intermediate Similarity NPD3255 Phase 1
0.7114 Intermediate Similarity NPD6228 Discontinued
0.7112 Intermediate Similarity NPD4925 Approved
0.7111 Intermediate Similarity NPD6772 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD8292 Phase 2
0.7093 Intermediate Similarity NPD4555 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5601 Phase 2
0.7087 Intermediate Similarity NPD3043 Approved
0.7087 Intermediate Similarity NPD3042 Approved
0.7085 Intermediate Similarity NPD7706 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD7068 Approved
0.7071 Intermediate Similarity NPD7067 Approved
0.7066 Intermediate Similarity NPD8525 Approved
0.7062 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1197 Approved
0.7056 Intermediate Similarity NPD7050 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7051 Phase 3
0.7039 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7112 Discontinued
0.7029 Intermediate Similarity NPD5051 Phase 1
0.7027 Intermediate Similarity NPD6366 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5644 Phase 1
0.7021 Intermediate Similarity NPD6186 Approved
0.7014 Intermediate Similarity NPD2917 Approved
0.7013 Intermediate Similarity NPD1258 Discontinued
0.7009 Intermediate Similarity NPD996 Phase 2
0.7009 Intermediate Similarity NPD994 Phase 2
0.7004 Intermediate Similarity NPD2812 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD2813 Phase 3
0.7 Intermediate Similarity NPD5802 Phase 2
0.6996 Remote Similarity NPD6482 Phase 1
0.6996 Remote Similarity NPD4916 Discontinued
0.6991 Remote Similarity NPD2482 Clinical (unspecified phase)
0.699 Remote Similarity NPD1923 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6450 Phase 2
0.6981 Remote Similarity NPD8524 Approved
0.6975 Remote Similarity NPD2414 Clinical (unspecified phase)
0.6974 Remote Similarity NPD3313 Phase 2
0.6971 Remote Similarity NPD3920 Phase 2
0.6971 Remote Similarity NPD6230 Discontinued
0.6968 Remote Similarity NPD1287 Phase 2
0.6963 Remote Similarity NPD1286 Suspended
0.696 Remote Similarity NPD5949 Phase 3
0.6958 Remote Similarity NPD4876 Phase 3
0.6958 Remote Similarity NPD4875 Phase 3
0.6955 Remote Similarity NPD3886 Phase 1
0.6953 Remote Similarity NPD5567 Approved
0.6951 Remote Similarity NPD5658 Approved
0.6947 Remote Similarity NPD5868 Approved
0.6944 Remote Similarity NPD4418 Discontinued
0.6942 Remote Similarity NPD6460 Clinical (unspecified phase)
0.694 Remote Similarity NPD4932 Clinical (unspecified phase)
0.6936 Remote Similarity NPD5139 Phase 1
0.6932 Remote Similarity NPD3343 Phase 3
0.693 Remote Similarity NPD4372 Phase 1
0.6929 Remote Similarity NPD6573 Phase 3
0.6929 Remote Similarity NPD6572 Phase 2
0.692 Remote Similarity NPD6545 Clinical (unspecified phase)
0.6911 Remote Similarity NPD5539 Phase 2
0.6907 Remote Similarity NPD4885 Approved
0.6904 Remote Similarity NPD6605 Phase 3
0.6903 Remote Similarity NPD2848 Discontinued
0.6902 Remote Similarity NPD5018 Phase 3
0.69 Remote Similarity NPD2440 Phase 3
0.69 Remote Similarity NPD2441 Approved
0.6897 Remote Similarity NPD6197 Approved
0.6894 Remote Similarity NPD8512 Phase 3
0.6887 Remote Similarity NPD4889 Approved
0.6887 Remote Similarity NPD7198 Clinical (unspecified phase)
0.6886 Remote Similarity NPD5612 Discontinued
0.6885 Remote Similarity NPD5007 Approved
0.6885 Remote Similarity NPD7013 Phase 3
0.6885 Remote Similarity NPD7012 Phase 3
0.6878 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6878 Remote Similarity NPD2472 Approved
0.6878 Remote Similarity NPD2471 Approved
0.6875 Remote Similarity NPD4858 Phase 2
0.687 Remote Similarity NPD8105 Discontinued
0.6866 Remote Similarity NPD3396 Approved
0.6866 Remote Similarity NPD3395 Approved
0.6865 Remote Similarity NPD6216 Approved
0.6864 Remote Similarity NPD2062 Phase 2
0.6863 Remote Similarity NPD5509 Phase 1
0.6855 Remote Similarity NPD5911 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4358 Clinical (unspecified phase)
0.6837 Remote Similarity NPD2410 Phase 2
0.6829 Remote Similarity NPD5008 Approved
0.6828 Remote Similarity NPD6202 Discontinued
0.6822 Remote Similarity NPD3002 Clinical (unspecified phase)
0.682 Remote Similarity NPD1038 Approved
0.6818 Remote Similarity NPD4548 Discontinued
0.6816 Remote Similarity NPD2130 Discontinued
0.6816 Remote Similarity NPD3397 Phase 2
0.6809 Remote Similarity NPD7161 Clinical (unspecified phase)
0.6806 Remote Similarity NPD459 Clinical (unspecified phase)
0.6805 Remote Similarity NPD5908 Clinical (unspecified phase)
0.6803 Remote Similarity NPD5118 Phase 2
0.6803 Remote Similarity NPD7486 Phase 1
0.68 Remote Similarity NPD2189 Approved
0.68 Remote Similarity NPD2187 Approved
0.68 Remote Similarity NPD4612 Discontinued
0.6798 Remote Similarity NPD2894 Phase 2
0.6797 Remote Similarity NPD3514 Clinical (unspecified phase)
0.6797 Remote Similarity NPD3763 Approved
0.6795 Remote Similarity NPD5829 Phase 2
0.6789 Remote Similarity NPD5998 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5870 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5869 Phase 2
0.6783 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6779 Remote Similarity NPD966 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6760 Discontinued
0.6774 Remote Similarity NPD6569 Phase 2
0.6772 Remote Similarity NPD4442 Phase 2
0.6772 Remote Similarity NPD5447 Phase 2
0.6765 Remote Similarity NPD2984 Phase 2
0.6765 Remote Similarity NPD5015 Clinical (unspecified phase)
0.6762 Remote Similarity NPD1272 Clinical (unspecified phase)
0.676 Remote Similarity NPD6207 Discovery
0.6758 Remote Similarity NPD5459 Phase 2
0.6754 Remote Similarity NPD2794 Discontinued
0.675 Remote Similarity NPD24 Approved
0.6746 Remote Similarity NPD5966 Clinical (unspecified phase)
0.6745 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6743 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5999 Phase 2

Structure

External Identifiers

PubChem CID   10027395
ChEMBL   CHEMBL484652
ZINC  

Physicochemical Properties

Molecular Weight:  463.19
ALogP:  -0.5166
MLogP:  3
XLogP:  3.191
# Rotatable Bonds:  13
Polar Surface Area:  110.77
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  34

Download Data

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