Natural Product: NPC197666

Natural Product ID:  NPC197666
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C10H10O4
Standard InCHIKey:  STSOHAOGZMLWFR-CDUCUWFYSA-N
Standard InCHI:  InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3/t5-,9-/m0/s1
Canonical SMILES:  C[C@@H]1OC(=O)c2c([C@H]1O)cccc2O
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
NPO7622 Monanchora pulchra Species Crambeidae Eukaryota UNPD*
NPO10870 Trichilia hirta Species Meliaceae Eukaryota UNPD*
NPO3419 Quercus suber Species Fagaceae Eukaryota UNPD*
NPO291 Suillus bovinus Species Suillaceae Eukaryota UNPD*
NPO115 Eutreptia viridis Species NA Eukaryota UNPD*
NPO25775 Dasystenella acanthina Species Primnoidae Eukaryota UNPD*
NPO4816 Cycas armstrongii Species Cycadaceae Eukaryota UNPD*
NPO18463 Plectocephalus chilensis Species Asteraceae Eukaryota UNPD*
NPO3756 Munronia delavayi Species Meliaceae Eukaryota UNPD*
NPO4293 Allium neapolitanum Species Amaryllidaceae Eukaryota UNPD*
NPO19333 Byssothecium obiones Species Massarinaceae Eukaryota UNPD*
NPO1897 Ephedra aphylla Species Ephedraceae Eukaryota UNPD*
NPO2609 Neonectria candida Species Nectriaceae Eukaryota UNPD*
NPO6302 Licaria armeniaca Species Lauraceae Eukaryota UNPD*
NPO2968 Anthopleura xanthogrammica Species Actiniidae Eukaryota UNPD*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota UNPD*
NPO17226 Burkholderia pyrrocinia Species Burkholderiaceae Bacteria UNPD*
NPO6130 Mammillaria magnimamma Species Cactaceae Eukaryota UNPD*
NPO3124 Gloiopeltis furcata Species Endocladiaceae Eukaryota UNPD*
NPO6850 Typha domingensis Species Typhaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 441000 nM 25706243

  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 NPC197666 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 NPC126739
0.9474 High Similarity NPC142027
0.9466 High Similarity NPC470831
0.9466 High Similarity NPC214702
0.9328 High Similarity NPC27407
0.9203 High Similarity NPC130485
0.913 High Similarity NPC158472
0.9118 High Similarity NPC291454
0.9118 High Similarity NPC235115
0.9097 High Similarity NPC215921
0.9097 High Similarity NPC70016
0.9078 High Similarity NPC83272
0.9058 High Similarity NPC247409
0.9051 High Similarity NPC261292
0.9051 High Similarity NPC301915
0.8986 High Similarity NPC221104
0.8951 High Similarity NPC53362
0.8951 High Similarity NPC166583
0.8929 High Similarity NPC470842
0.8929 High Similarity NPC158634
0.8921 High Similarity NPC268052
0.8921 High Similarity NPC32360
0.8897 High Similarity NPC153783
0.8881 High Similarity NPC473023
0.8873 High Similarity NPC210425
0.8873 High Similarity NPC103910
0.8873 High Similarity NPC86373
0.8873 High Similarity NPC277426
0.8873 High Similarity NPC280404
0.8865 High Similarity NPC322112
0.8865 High Similarity NPC82913
0.8857 High Similarity NPC155205
0.8849 High Similarity NPC33144
0.8849 High Similarity NPC472602
0.8849 High Similarity NPC212693
0.8849 High Similarity NPC94248
0.8849 High Similarity NPC478200
0.8844 High Similarity NPC281477
0.8836 High Similarity NPC240768
0.8836 High Similarity NPC200773
0.8832 High Similarity NPC474097
0.8828 High Similarity NPC237440
0.8828 High Similarity NPC270160
0.8819 High Similarity NPC81835
0.8819 High Similarity NPC476463
0.8815 High Similarity NPC473271
0.8803 High Similarity NPC469542
0.8794 High Similarity NPC472604
0.8794 High Similarity NPC53649
0.8794 High Similarity NPC244923
0.8794 High Similarity NPC472605
0.8794 High Similarity NPC149533
0.8786 High Similarity NPC471819
0.8786 High Similarity NPC139634
0.8786 High Similarity NPC105456
0.8786 High Similarity NPC88269
0.8784 High Similarity NPC16082
0.8784 High Similarity NPC82592
0.8777 High Similarity NPC70380
0.8776 High Similarity NPC295646
0.8767 High Similarity NPC475407
0.8767 High Similarity NPC56204
0.8767 High Similarity NPC469619
0.8767 High Similarity NPC469670
0.8759 High Similarity NPC43627
0.875 High Similarity NPC32058
0.875 High Similarity NPC189823
0.875 High Similarity NPC7012
0.875 High Similarity NPC219892
0.875 High Similarity NPC85734
0.875 High Similarity NPC260946
0.8741 High Similarity NPC42540
0.8741 High Similarity NPC151607
0.8732 High Similarity NPC474385
0.8723 High Similarity NPC472600
0.8723 High Similarity NPC472601
0.8723 High Similarity NPC64664
0.8714 High Similarity NPC191835
0.8696 High Similarity NPC175943
0.869 High Similarity NPC210320
0.8681 High Similarity NPC257558
0.8671 High Similarity NPC471731
0.8671 High Similarity NPC478202
0.8671 High Similarity NPC51106
0.8671 High Similarity NPC159721
0.8667 High Similarity NPC767
0.8667 High Similarity NPC190020
0.8667 High Similarity NPC84935
0.8667 High Similarity NPC247250
0.8667 High Similarity NPC77679
0.8662 High Similarity NPC472035
0.8662 High Similarity NPC478201
0.8662 High Similarity NPC472603
0.8662 High Similarity NPC90411
0.8662 High Similarity NPC313123
0.8662 High Similarity NPC478217
0.8658 High Similarity NPC199926
0.8658 High Similarity NPC170189
0.8658 High Similarity NPC69043
0.8658 High Similarity NPC208173
0.8658 High Similarity NPC478230
0.8652 High Similarity NPC52358
0.8652 High Similarity NPC275356
0.8649 High Similarity NPC184284
0.8649 High Similarity NPC76041
0.8649 High Similarity NPC167903
0.8649 High Similarity NPC115249
0.8649 High Similarity NPC478224
0.8647 High Similarity NPC265910
0.8647 High Similarity NPC91475
0.8643 High Similarity NPC71256
0.8643 High Similarity NPC135837
0.8639 High Similarity NPC179178
0.8639 High Similarity NPC96501
0.8639 High Similarity NPC472891
0.863 High Similarity NPC73411
0.863 High Similarity NPC215711
0.863 High Similarity NPC94781
0.8621 High Similarity NPC268366
0.8611 High Similarity NPC210966
0.8611 High Similarity NPC478203
0.8611 High Similarity NPC126882
0.8601 High Similarity NPC469579
0.8601 High Similarity NPC471733
0.86 High Similarity NPC478027
0.86 High Similarity NPC150227
0.86 High Similarity NPC227062
0.8591 High Similarity NPC478231
0.8591 High Similarity NPC137301
0.8582 High Similarity NPC61590
0.8581 High Similarity NPC205918
0.8571 High Similarity NPC4423
0.8571 High Similarity NPC44378
0.8571 High Similarity NPC77325
0.8571 High Similarity NPC280753
0.8562 High Similarity NPC472036
0.8551 High Similarity NPC477406
0.8551 High Similarity NPC17843
0.8543 High Similarity NPC208651
0.8543 High Similarity NPC472889
0.8543 High Similarity NPC206641
0.8543 High Similarity NPC257309
0.8542 High Similarity NPC472006
0.8542 High Similarity NPC258307
0.8542 High Similarity NPC472610
0.8542 High Similarity NPC21873
0.8533 High Similarity NPC192219
0.8533 High Similarity NPC99381
0.8533 High Similarity NPC174599
0.8533 High Similarity NPC82190
0.8533 High Similarity NPC317585
0.8533 High Similarity NPC472890
0.8531 High Similarity NPC1704
0.8531 High Similarity NPC257003
0.8531 High Similarity NPC475730
0.8531 High Similarity NPC67650
0.8521 High Similarity NPC299405
0.8521 High Similarity NPC476477
0.8521 High Similarity NPC29771
0.8521 High Similarity NPC111422
0.8521 High Similarity NPC306835
0.8521 High Similarity NPC471602
0.8521 High Similarity NPC256463
0.8521 High Similarity NPC216312
0.8521 High Similarity NPC295339
0.8521 High Similarity NPC134969
0.8521 High Similarity NPC92655
0.8503 High Similarity NPC153417
0.85 High Similarity NPC470844
0.85 High Similarity NPC180905
0.85 High Similarity NPC182496
0.8493 Intermediate Similarity NPC107625
0.8493 Intermediate Similarity NPC120536
0.8493 Intermediate Similarity NPC285122
0.8493 Intermediate Similarity NPC472033
0.8489 Intermediate Similarity NPC289572
0.8489 Intermediate Similarity NPC157478
0.8489 Intermediate Similarity NPC295406
0.8489 Intermediate Similarity NPC200422
0.8487 Intermediate Similarity NPC470339
0.8483 Intermediate Similarity NPC257025
0.8477 Intermediate Similarity NPC148323
0.8477 Intermediate Similarity NPC283480
0.8472 Intermediate Similarity NPC314271
0.8467 Intermediate Similarity NPC472127
0.8467 Intermediate Similarity NPC301233
0.8467 Intermediate Similarity NPC474622
0.8467 Intermediate Similarity NPC192189
0.8467 Intermediate Similarity NPC185103
0.8467 Intermediate Similarity NPC472128
0.8467 Intermediate Similarity NPC474621
0.8462 Intermediate Similarity NPC327916
0.8462 Intermediate Similarity NPC42262
0.8462 Intermediate Similarity NPC32749
0.8462 Intermediate Similarity NPC220496
0.8462 Intermediate Similarity NPC147542
0.8462 Intermediate Similarity NPC241349
0.8462 Intermediate Similarity NPC37992
0.8456 Intermediate Similarity NPC181715
0.8451 Intermediate Similarity NPC9121

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC197666 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
0.8521 High Similarity NPD970 Clinical (unspecified phase)
0.8227 Intermediate Similarity NPD230 Phase 1
0.8106 Intermediate Similarity NPD9493 Approved
0.8054 Intermediate Similarity NPD2532 Approved
0.8054 Intermediate Similarity NPD2534 Approved
0.8054 Intermediate Similarity NPD2533 Approved
0.8039 Intermediate Similarity NPD1934 Approved
0.7985 Intermediate Similarity NPD9545 Approved
0.7972 Intermediate Similarity NPD447 Suspended
0.7908 Intermediate Similarity NPD4380 Phase 2
0.7905 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD8150 Discontinued
0.7871 Intermediate Similarity NPD7819 Suspended
0.7871 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD6232 Discontinued
0.7834 Intermediate Similarity NPD7075 Discontinued
0.7823 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7823 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD5402 Approved
0.7808 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD4628 Phase 3
0.7771 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD1549 Phase 2
0.7756 Intermediate Similarity NPD2801 Approved
0.7756 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD2935 Discontinued
0.7755 Intermediate Similarity NPD1551 Phase 2
0.7748 Intermediate Similarity NPD6799 Approved
0.7748 Intermediate Similarity NPD1511 Approved
0.7727 Intermediate Similarity NPD3226 Approved
0.7722 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7473 Discontinued
0.7707 Intermediate Similarity NPD3817 Phase 2
0.7706 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD2346 Discontinued
0.7698 Intermediate Similarity NPD9717 Approved
0.7687 Intermediate Similarity NPD1510 Phase 2
0.766 Intermediate Similarity NPD1203 Approved
0.766 Intermediate Similarity NPD1470 Approved
0.7658 Intermediate Similarity NPD3882 Suspended
0.7655 Intermediate Similarity NPD1240 Approved
0.7655 Intermediate Similarity NPD943 Approved
0.7654 Intermediate Similarity NPD6166 Phase 2
0.7654 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD1512 Approved
0.7643 Intermediate Similarity NPD1465 Phase 2
0.7639 Intermediate Similarity NPD3764 Approved
0.7626 Intermediate Similarity NPD1201 Approved
0.7622 Intermediate Similarity NPD5844 Phase 1
0.7622 Intermediate Similarity NPD7054 Approved
0.7616 Intermediate Similarity NPD6190 Approved
0.7605 Intermediate Similarity NPD8312 Approved
0.7605 Intermediate Similarity NPD8313 Approved
0.7597 Intermediate Similarity NPD5403 Approved
0.7582 Intermediate Similarity NPD5401 Approved
0.758 Intermediate Similarity NPD6801 Discontinued
0.7576 Intermediate Similarity NPD7472 Approved
0.7576 Intermediate Similarity NPD7074 Phase 3
0.7568 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6599 Discontinued
0.7561 Intermediate Similarity NPD3818 Discontinued
0.7551 Intermediate Similarity NPD1607 Approved
0.7531 Intermediate Similarity NPD5710 Approved
0.7531 Intermediate Similarity NPD5711 Approved
0.753 Intermediate Similarity NPD6797 Phase 2
0.7517 Intermediate Similarity NPD411 Approved
0.75 Intermediate Similarity NPD74 Approved
0.75 Intermediate Similarity NPD9266 Approved
0.75 Intermediate Similarity NPD3749 Approved
0.7485 Intermediate Similarity NPD7251 Discontinued
0.7483 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD6959 Discontinued
0.7468 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD3751 Discontinued
0.7447 Intermediate Similarity NPD1608 Approved
0.7447 Intermediate Similarity NPD9269 Phase 2
0.744 Intermediate Similarity NPD7808 Phase 3
0.7434 Intermediate Similarity NPD3750 Approved
0.7424 Intermediate Similarity NPD9267 Approved
0.7424 Intermediate Similarity NPD9264 Approved
0.7424 Intermediate Similarity NPD9263 Approved
0.741 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD7411 Suspended
0.74 Intermediate Similarity NPD5404 Approved
0.74 Intermediate Similarity NPD5408 Approved
0.74 Intermediate Similarity NPD5406 Approved
0.74 Intermediate Similarity NPD5405 Approved
0.7389 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD6559 Discontinued
0.7379 Intermediate Similarity NPD6832 Phase 2
0.7375 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD1019 Discontinued
0.7347 Intermediate Similarity NPD520 Approved
0.7333 Intermediate Similarity NPD7033 Discontinued
0.7321 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD3787 Discontinued
0.7314 Intermediate Similarity NPD6535 Approved
0.7314 Intermediate Similarity NPD6534 Approved
0.731 Intermediate Similarity NPD9494 Approved
0.7301 Intermediate Similarity NPD5494 Approved
0.7292 Intermediate Similarity NPD1164 Approved
0.7286 Intermediate Similarity NPD9268 Approved
0.7285 Intermediate Similarity NPD2796 Approved
0.7283 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2313 Discontinued
0.7278 Intermediate Similarity NPD7435 Discontinued
0.7261 Intermediate Similarity NPD920 Approved
0.7257 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD6213 Phase 3
0.7257 Intermediate Similarity NPD6212 Phase 3
0.7255 Intermediate Similarity NPD2800 Approved
0.7255 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD1933 Approved
0.7238 Intermediate Similarity NPD8320 Phase 1
0.7238 Intermediate Similarity NPD8319 Approved
0.7237 Intermediate Similarity NPD7266 Discontinued
0.7234 Intermediate Similarity NPD17 Approved
0.7229 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7768 Phase 2
0.7219 Intermediate Similarity NPD2799 Discontinued
0.7208 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6776 Approved
0.7207 Intermediate Similarity NPD6781 Approved
0.7207 Intermediate Similarity NPD6782 Approved
0.7207 Intermediate Similarity NPD6778 Approved
0.7207 Intermediate Similarity NPD6777 Approved
0.7207 Intermediate Similarity NPD6780 Approved
0.7207 Intermediate Similarity NPD6779 Approved
0.7191 Intermediate Similarity NPD7700 Phase 2
0.7191 Intermediate Similarity NPD7699 Phase 2
0.7179 Intermediate Similarity NPD7390 Discontinued
0.7176 Intermediate Similarity NPD7685 Pre-registration
0.7174 Intermediate Similarity NPD9281 Approved
0.7164 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD37 Approved
0.7134 Intermediate Similarity NPD919 Approved
0.7134 Intermediate Similarity NPD6234 Discontinued
0.7134 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1091 Approved
0.7124 Intermediate Similarity NPD2344 Approved
0.7123 Intermediate Similarity NPD5647 Approved
0.7121 Intermediate Similarity NPD9261 Approved
0.7117 Intermediate Similarity NPD4967 Phase 2
0.7117 Intermediate Similarity NPD4965 Approved
0.7117 Intermediate Similarity NPD4966 Approved
0.7113 Intermediate Similarity NPD1778 Approved
0.7111 Intermediate Similarity NPD2182 Approved
0.7105 Intermediate Similarity NPD3748 Approved
0.7086 Intermediate Similarity NPD6653 Approved
0.707 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD8434 Phase 2
0.7068 Intermediate Similarity NPD164 Approved
0.7067 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD4060 Phase 1
0.7067 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD1613 Approved
0.7059 Intermediate Similarity NPD6100 Approved
0.7059 Intermediate Similarity NPD6099 Approved
0.7055 Intermediate Similarity NPD2797 Approved
0.7048 Intermediate Similarity NPD7199 Phase 2
0.7047 Intermediate Similarity NPD3268 Approved
0.7043 Intermediate Similarity NPD7874 Approved
0.7043 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7228 Approved
0.7032 Intermediate Similarity NPD1652 Phase 2
0.7032 Intermediate Similarity NPD1243 Approved
0.7025 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6355 Discontinued
0.7014 Intermediate Similarity NPD422 Phase 1
0.7013 Intermediate Similarity NPD5762 Approved
0.7013 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD5763 Approved
0.7013 Intermediate Similarity NPD6005 Phase 3
0.7013 Intermediate Similarity NPD6004 Phase 3
0.7013 Intermediate Similarity NPD6002 Phase 3
0.7013 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2798 Approved
0.7006 Intermediate Similarity NPD3300 Phase 2
0.7006 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7783 Phase 2
0.7 Intermediate Similarity NPD1653 Approved
0.6995 Remote Similarity NPD7697 Approved
0.6995 Remote Similarity NPD7698 Approved
0.6995 Remote Similarity NPD7696 Phase 3
0.6993 Remote Similarity NPD4308 Phase 3
0.6989 Remote Similarity NPD8151 Discontinued
0.6986 Remote Similarity NPD3225 Approved
0.6986 Remote Similarity NPD1283 Approved
0.6957 Remote Similarity NPD7871 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3577240
ZINC  

Physicochemical Properties

Molecular Weight:  194.06
ALogP:  -1.0612
MLogP:  2.12
XLogP:  1.212
# Rotatable Bonds:  3
Polar Surface Area:  66.76
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  14

Download Data

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