Natural Product: NPC478075

Natural Product ID:  NPC478075
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H26N2O3
Standard InCHIKey:  DSABJRUCTHPZJA-ADDQASITSA-N
Standard InCHI:  InChI=1S/C20H26N2O3/c1-3-12-6-11-7-15-18(12)22(9-11)10-17(23)20(15)19(24)14-8-13(25-2)4-5-16(14)21-20/h4-5,8,11-12,15,17-18,21,23H,3,6-7,9-10H2,1-2H3/t11-,12-,15+,17+,18-,20-/m0/s1
Canonical SMILES:  CC[C@H]1C[C@@H]2CN3[C@@H]1[C@@H](C2)[C@@]1([C@@H](C3)O)Nc2c(C1=O)cc(cc2)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
NPO9376 Tabernaemontana corymbosa Species Apocynaceae Eukaryota stem-bark Pahang, Malaysia 2003-JUN PMID[25919190]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 53200 nM 25919190
NPT91 Cell Line KB Homo sapiens IC50 > 25 ug/ml 25919190

  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 NPC478075 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
0.8019 Intermediate Similarity NPC122886
0.7897 Intermediate Similarity NPC21425
0.7822 Intermediate Similarity NPC138830
0.7778 Intermediate Similarity NPC478078
0.7778 Intermediate Similarity NPC472118
0.7742 Intermediate Similarity NPC93653
0.7638 Intermediate Similarity NPC5630
0.7638 Intermediate Similarity NPC474059
0.7633 Intermediate Similarity NPC195787
0.7633 Intermediate Similarity NPC246140
0.7617 Intermediate Similarity NPC288110
0.7608 Intermediate Similarity NPC477160
0.7574 Intermediate Similarity NPC230313
0.7559 Intermediate Similarity NPC234772
0.7549 Intermediate Similarity NPC100863
0.7545 Intermediate Similarity NPC301501
0.7525 Intermediate Similarity NPC473007
0.7513 Intermediate Similarity NPC314659
0.7476 Intermediate Similarity NPC329567
0.7476 Intermediate Similarity NPC330683
0.7462 Intermediate Similarity NPC197335
0.7429 Intermediate Similarity NPC198160
0.7416 Intermediate Similarity NPC87714
0.7406 Intermediate Similarity NPC471304
0.7406 Intermediate Similarity NPC25961
0.7406 Intermediate Similarity NPC269449
0.7399 Intermediate Similarity NPC139373
0.7393 Intermediate Similarity NPC478083
0.7391 Intermediate Similarity NPC67904
0.7389 Intermediate Similarity NPC473004
0.738 Intermediate Similarity NPC329932
0.7379 Intermediate Similarity NPC218733
0.7379 Intermediate Similarity NPC132874
0.7379 Intermediate Similarity NPC265642
0.7379 Intermediate Similarity NPC138615
0.7378 Intermediate Similarity NPC154922
0.7376 Intermediate Similarity NPC473008
0.7376 Intermediate Similarity NPC473458
0.7368 Intermediate Similarity NPC469451
0.734 Intermediate Similarity NPC22476
0.7339 Intermediate Similarity NPC318525
0.7339 Intermediate Similarity NPC10653
0.7336 Intermediate Similarity NPC119722
0.7336 Intermediate Similarity NPC159815
0.7333 Intermediate Similarity NPC475147
0.7324 Intermediate Similarity NPC474366
0.7321 Intermediate Similarity NPC1464
0.7317 Intermediate Similarity NPC243626
0.7313 Intermediate Similarity NPC151171
0.7313 Intermediate Similarity NPC87391
0.7309 Intermediate Similarity NPC223242
0.7302 Intermediate Similarity NPC217903
0.7299 Intermediate Similarity NPC477161
0.7295 Intermediate Similarity NPC112937
0.7293 Intermediate Similarity NPC469452
0.7291 Intermediate Similarity NPC45389
0.7286 Intermediate Similarity NPC270301
0.7285 Intermediate Similarity NPC19175
0.7281 Intermediate Similarity NPC469450
0.7281 Intermediate Similarity NPC195636
0.7273 Intermediate Similarity NPC120239
0.7269 Intermediate Similarity NPC189661
0.7268 Intermediate Similarity NPC203972
0.7264 Intermediate Similarity NPC212123
0.7257 Intermediate Similarity NPC160113
0.7257 Intermediate Similarity NPC476220
0.7256 Intermediate Similarity NPC116178
0.7256 Intermediate Similarity NPC10732
0.7256 Intermediate Similarity NPC127996
0.7252 Intermediate Similarity NPC476436
0.7248 Intermediate Similarity NPC77777
0.7244 Intermediate Similarity NPC474192
0.7244 Intermediate Similarity NPC475720
0.7238 Intermediate Similarity NPC474077
0.7236 Intermediate Similarity NPC85613
0.7236 Intermediate Similarity NPC5167
0.7236 Intermediate Similarity NPC283810
0.7233 Intermediate Similarity NPC198401
0.7227 Intermediate Similarity NPC128476
0.7222 Intermediate Similarity NPC321166
0.7217 Intermediate Similarity NPC113455
0.7215 Intermediate Similarity NPC222046
0.7212 Intermediate Similarity NPC71124
0.7209 Intermediate Similarity NPC295479
0.7209 Intermediate Similarity NPC220241
0.7207 Intermediate Similarity NPC115588
0.7204 Intermediate Similarity NPC41216
0.7202 Intermediate Similarity NPC126556
0.7196 Intermediate Similarity NPC475133
0.7189 Intermediate Similarity NPC298449
0.7183 Intermediate Similarity NPC222561
0.7182 Intermediate Similarity NPC476069
0.7182 Intermediate Similarity NPC472099
0.7178 Intermediate Similarity NPC49184
0.7171 Intermediate Similarity NPC203628
0.7169 Intermediate Similarity NPC96321
0.7169 Intermediate Similarity NPC182853
0.7165 Intermediate Similarity NPC299582
0.7149 Intermediate Similarity NPC291173
0.7143 Intermediate Similarity NPC157931
0.7143 Intermediate Similarity NPC471513
0.7143 Intermediate Similarity NPC30749
0.7136 Intermediate Similarity NPC206109
0.7136 Intermediate Similarity NPC114039
0.713 Intermediate Similarity NPC476258
0.713 Intermediate Similarity NPC304837
0.7123 Intermediate Similarity NPC207971
0.7118 Intermediate Similarity NPC131977
0.7114 Intermediate Similarity NPC472163
0.7113 Intermediate Similarity NPC204867
0.711 Intermediate Similarity NPC176113
0.7109 Intermediate Similarity NPC469732
0.7103 Intermediate Similarity NPC308943
0.7097 Intermediate Similarity NPC305542
0.7095 Intermediate Similarity NPC5374
0.7095 Intermediate Similarity NPC241263
0.7093 Intermediate Similarity NPC476429
0.7091 Intermediate Similarity NPC195120
0.7091 Intermediate Similarity NPC87560
0.7089 Intermediate Similarity NPC268077
0.7089 Intermediate Similarity NPC313112
0.7089 Intermediate Similarity NPC301292
0.7087 Intermediate Similarity NPC1820
0.7075 Intermediate Similarity NPC15987
0.7075 Intermediate Similarity NPC288759
0.7072 Intermediate Similarity NPC118189
0.707 Intermediate Similarity NPC100573
0.707 Intermediate Similarity NPC207873
0.7065 Intermediate Similarity NPC70092
0.7064 Intermediate Similarity NPC268223
0.7062 Intermediate Similarity NPC127178
0.7062 Intermediate Similarity NPC257763
0.7056 Intermediate Similarity NPC475816
0.7054 Intermediate Similarity NPC231924
0.7051 Intermediate Similarity NPC218303
0.7048 Intermediate Similarity NPC234933
0.7047 Intermediate Similarity NPC133817
0.7047 Intermediate Similarity NPC476443
0.7041 Intermediate Similarity NPC472115
0.7041 Intermediate Similarity NPC472114
0.7039 Intermediate Similarity NPC473569
0.7033 Intermediate Similarity NPC303214
0.7032 Intermediate Similarity NPC55470
0.7028 Intermediate Similarity NPC232600
0.7019 Intermediate Similarity NPC254957
0.7009 Intermediate Similarity NPC14339
0.7004 Intermediate Similarity NPC477397
0.6996 Remote Similarity NPC329830
0.6996 Remote Similarity NPC76478
0.6995 Remote Similarity NPC477159
0.6995 Remote Similarity NPC473005
0.6991 Remote Similarity NPC248903
0.699 Remote Similarity NPC477186
0.699 Remote Similarity NPC477998
0.6987 Remote Similarity NPC329631
0.6986 Remote Similarity NPC473006
0.6981 Remote Similarity NPC329793
0.6964 Remote Similarity NPC148124
0.6961 Remote Similarity NPC97584
0.696 Remote Similarity NPC311906
0.6951 Remote Similarity NPC118154
0.6951 Remote Similarity NPC157983
0.6947 Remote Similarity NPC26928
0.6947 Remote Similarity NPC144691
0.6946 Remote Similarity NPC329982
0.6943 Remote Similarity NPC49547
0.6942 Remote Similarity NPC14994
0.6941 Remote Similarity NPC470481
0.6941 Remote Similarity NPC472098
0.6941 Remote Similarity NPC470482
0.6937 Remote Similarity NPC134702
0.6936 Remote Similarity NPC208522
0.6934 Remote Similarity NPC317727
0.6931 Remote Similarity NPC475094
0.6931 Remote Similarity NPC218594
0.6931 Remote Similarity NPC99043
0.6923 Remote Similarity NPC25401
0.6923 Remote Similarity NPC469722
0.6923 Remote Similarity NPC28510
0.6923 Remote Similarity NPC469928
0.692 Remote Similarity NPC99724
0.692 Remote Similarity NPC7560
0.692 Remote Similarity NPC46259
0.6919 Remote Similarity NPC472191
0.6917 Remote Similarity NPC478080
0.6913 Remote Similarity NPC473105
0.6908 Remote Similarity NPC284706
0.6904 Remote Similarity NPC70172
0.6898 Remote Similarity NPC45190
0.6898 Remote Similarity NPC472111
0.6897 Remote Similarity NPC166169
0.6895 Remote Similarity NPC220337
0.6895 Remote Similarity NPC82541
0.6893 Remote Similarity NPC262725
0.6888 Remote Similarity NPC176983
0.6887 Remote Similarity NPC17677
0.6883 Remote Similarity NPC39370
0.6878 Remote Similarity NPC148391
0.6875 Remote Similarity NPC22689
0.6875 Remote Similarity NPC105055

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478075 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
0.7788 Intermediate Similarity NPD4493 Discontinued
0.7729 Intermediate Similarity NPD4082 Approved
0.7667 Intermediate Similarity NPD4492 Approved
0.7667 Intermediate Similarity NPD4494 Approved
0.7614 Intermediate Similarity NPD6021 Clinical (unspecified phase)
0.7592 Intermediate Similarity NPD5183 Approved
0.7592 Intermediate Similarity NPD5186 Approved
0.7581 Intermediate Similarity NPD3783 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD7858 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD5860 Discontinued
0.75 Intermediate Similarity NPD5433 Clinical (unspecified phase)
0.7489 Intermediate Similarity NPD7186 Phase 3
0.7488 Intermediate Similarity NPD3893 Discontinued
0.7476 Intermediate Similarity NPD2907 Approved
0.7476 Intermediate Similarity NPD2906 Approved
0.7476 Intermediate Similarity NPD4022 Approved
0.7476 Intermediate Similarity NPD3472 Approved
0.7466 Intermediate Similarity NPD6199 Discontinued
0.7442 Intermediate Similarity NPD3940 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD4596 Phase 1
0.7416 Intermediate Similarity NPD4456 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD3372 Discontinued
0.7383 Intermediate Similarity NPD4455 Discontinued
0.7379 Intermediate Similarity NPD5196 Approved
0.7379 Intermediate Similarity NPD5197 Approved
0.7379 Intermediate Similarity NPD5194 Approved
0.7371 Intermediate Similarity NPD1945 Phase 1
0.7346 Intermediate Similarity NPD5143 Clinical (unspecified phase)
0.7309 Intermediate Similarity NPD4981 Phase 2
0.7295 Intermediate Similarity NPD5071 Phase 2
0.7291 Intermediate Similarity NPD5896 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD3437 Discontinued
0.726 Intermediate Similarity NPD6874 Approved
0.7256 Intermediate Similarity NPD3888 Discontinued
0.7251 Intermediate Similarity NPD4467 Phase 2
0.7251 Intermediate Similarity NPD4465 Phase 2
0.7241 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD6293 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD3153 Approved
0.7228 Intermediate Similarity NPD3154 Approved
0.7189 Intermediate Similarity NPD4562 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD3912 Discontinued
0.7156 Intermediate Similarity NPD8149 Discontinued
0.715 Intermediate Similarity NPD6654 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD7560 Approved
0.7122 Intermediate Similarity NPD4259 Approved
0.7122 Intermediate Similarity NPD4258 Approved
0.712 Intermediate Similarity NPD2672 Discontinued
0.7109 Intermediate Similarity NPD6321 Discontinued
0.7109 Intermediate Similarity NPD3416 Discontinued
0.7108 Intermediate Similarity NPD4515 Suspended
0.7101 Intermediate Similarity NPD5610 Approved
0.7089 Intermediate Similarity NPD1294 Discontinued
0.7081 Intermediate Similarity NPD7238 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD7556 Discontinued
0.7059 Intermediate Similarity NPD5496 Approved
0.7053 Intermediate Similarity NPD5937 Approved
0.705 Intermediate Similarity NPD5334 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD7597 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD5928 Phase 1
0.7032 Intermediate Similarity NPD5293 Phase 2
0.703 Intermediate Similarity NPD7149 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD6533 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD7479 Phase 2
0.7009 Intermediate Similarity NPD5102 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD2681 Approved
0.7005 Intermediate Similarity NPD2680 Approved
0.7 Intermediate Similarity NPD5195 Discontinued
0.6991 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6982 Remote Similarity NPD2899 Discontinued
0.6972 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6967 Remote Similarity NPD4668 Phase 2
0.6963 Remote Similarity NPD6478 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4078 Clinical (unspecified phase)
0.6952 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6242 Discontinued
0.6948 Remote Similarity NPD6238 Discontinued
0.6948 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7301 Phase 3
0.6938 Remote Similarity NPD7262 Phase 1
0.6935 Remote Similarity NPD5680 Clinical (unspecified phase)
0.6934 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6934 Remote Similarity NPD5609 Approved
0.6934 Remote Similarity NPD5608 Approved
0.6933 Remote Similarity NPD7279 Phase 2
0.6933 Remote Similarity NPD7820 Phase 3
0.6933 Remote Similarity NPD7278 Phase 2
0.6931 Remote Similarity NPD5900 Clinical (unspecified phase)
0.693 Remote Similarity NPD6250 Discontinued
0.6919 Remote Similarity NPD5515 Phase 2
0.6919 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6916 Remote Similarity NPD7627 Approved
0.6916 Remote Similarity NPD7626 Approved
0.6912 Remote Similarity NPD4859 Phase 1
0.6907 Remote Similarity NPD1769 Discontinued
0.6903 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6895 Remote Similarity NPD5416 Discontinued
0.6884 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6881 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7225 Discontinued
0.6861 Remote Similarity NPD4429 Discontinued
0.6861 Remote Similarity NPD7293 Approved
0.6856 Remote Similarity NPD5022 Discontinued
0.6849 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6847 Remote Similarity NPD5025 Approved
0.684 Remote Similarity NPD7922 Phase 1
0.6834 Remote Similarity NPD3984 Clinical (unspecified phase)
0.6834 Remote Similarity NPD3983 Phase 3
0.6822 Remote Similarity NPD6805 Discontinued
0.682 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6818 Remote Similarity NPD683 Approved
0.6816 Remote Similarity NPD5997 Discontinued
0.6802 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6798 Remote Similarity NPD5600 Discontinued
0.6797 Remote Similarity NPD5151 Clinical (unspecified phase)
0.679 Remote Similarity NPD8091 Phase 3
0.6784 Remote Similarity NPD6037 Discontinued
0.6781 Remote Similarity NPD7853 Phase 2
0.6777 Remote Similarity NPD4539 Phase 1
0.6774 Remote Similarity NPD3298 Approved
0.6774 Remote Similarity NPD6644 Discontinued
0.6769 Remote Similarity NPD7994 Phase 2
0.6763 Remote Similarity NPD6618 Phase 2
0.6762 Remote Similarity NPD5871 Discontinued
0.6759 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7300 Phase 3
0.6758 Remote Similarity NPD7302 Phase 3
0.6744 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6737 Remote Similarity NPD6790 Phase 1
0.6737 Remote Similarity NPD6017 Discontinued
0.6736 Remote Similarity NPD3641 Approved
0.6736 Remote Similarity NPD3640 Phase 3
0.6736 Remote Similarity NPD3639 Approved
0.6735 Remote Similarity NPD7708 Approved
0.6734 Remote Similarity NPD4796 Discontinued
0.6733 Remote Similarity NPD2248 Approved
0.6733 Remote Similarity NPD2246 Approved
0.6732 Remote Similarity NPD6297 Approved
0.6723 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6717 Remote Similarity NPD1743 Approved
0.6717 Remote Similarity NPD1742 Approved
0.6717 Remote Similarity NPD19 Approved
0.6714 Remote Similarity NPD5582 Discontinued
0.6711 Remote Similarity NPD7292 Approved
0.6701 Remote Similarity NPD6060 Clinical (unspecified phase)
0.67 Remote Similarity NPD3422 Phase 3
0.67 Remote Similarity NPD3423 Phase 2
0.6699 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6698 Remote Similarity NPD3297 Approved
0.6696 Remote Similarity NPD3393 Approved
0.6696 Remote Similarity NPD3899 Clinical (unspecified phase)
0.6696 Remote Similarity NPD3394 Approved
0.6696 Remote Similarity NPD3259 Approved
0.6696 Remote Similarity NPD3389 Approved
0.6695 Remote Similarity NPD4561 Discontinued
0.6684 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6683 Remote Similarity NPD6851 Approved
0.6683 Remote Similarity NPD6853 Approved
0.6682 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6682 Remote Similarity NPD4154 Approved
0.6682 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6681 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8358 Approved
0.6667 Remote Similarity NPD8161 Suspended
0.6667 Remote Similarity NPD8463 Approved
0.6667 Remote Similarity NPD1802 Approved
0.6667 Remote Similarity NPD2339 Phase 3
0.6667 Remote Similarity NPD2649 Approved
0.6667 Remote Similarity NPD2651 Approved
0.6667 Remote Similarity NPD1801 Approved
0.6652 Remote Similarity NPD7031 Phase 1
0.6652 Remote Similarity NPD4679 Discontinued
0.6651 Remote Similarity NPD7205 Discontinued
0.6651 Remote Similarity NPD7569 Approved
0.6651 Remote Similarity NPD7570 Approved
0.665 Remote Similarity NPD4330 Approved
0.665 Remote Similarity NPD6211 Clinical (unspecified phase)
0.665 Remote Similarity NPD6844 Discontinued
0.665 Remote Similarity NPD4329 Approved
0.664 Remote Similarity NPD7925 Phase 2
0.664 Remote Similarity NPD7924 Phase 2
0.6638 Remote Similarity NPD7542 Phase 3
0.6638 Remote Similarity NPD3006 Discontinued
0.6637 Remote Similarity NPD5632 Approved
0.6636 Remote Similarity NPD7222 Phase 2
0.6636 Remote Similarity NPD3964 Approved
0.6634 Remote Similarity NPD4166 Phase 2
0.6634 Remote Similarity NPD5670 Approved
0.6627 Remote Similarity NPD7803 Approved
0.6624 Remote Similarity NPD4373 Phase 2
0.6624 Remote Similarity NPD6625 Approved
0.6622 Remote Similarity NPD7475 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581898
ZINC  

Physicochemical Properties

Molecular Weight:  342.19
ALogP:  -2.5758
MLogP:  3.11
XLogP:  2.316
# Rotatable Bonds:  5
Polar Surface Area:  61.8
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs