Natural Product: NPC328007

Natural Product ID:  NPC328007
Common Name:   Tetrahydrocortisone
IUPAC Name:   (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Synonyms:   Tetrahydrocortisone
Molecular Formula:   C21H32O5
Standard InCHIKey:  SYGWGHVTLUBCEM-ZIZPXRJBSA-N
Standard InCHI:  InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
Canonical SMILES:  OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)O
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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[18545203]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[2165347]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT701 Individual Protein UDP-glucuronosyltransferase 2B4 Homo sapiens Activity = 5 total picomoles 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 15 total picomoles 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 total picomoles 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 101.62 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 99.93 % 23571415

  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 NPC328007 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
0.9125 High Similarity NPC327451
0.9 High Similarity NPC317066
0.8947 High Similarity NPC254340
0.8824 High Similarity NPC476296
0.875 High Similarity NPC470609
0.8684 High Similarity NPC156277
0.8684 High Similarity NPC58057
0.8684 High Similarity NPC320549
0.8684 High Similarity NPC151018
0.8608 High Similarity NPC23884
0.8571 High Similarity NPC476726
0.8571 High Similarity NPC232112
0.8571 High Similarity NPC476727
0.8571 High Similarity NPC310766
0.8481 Intermediate Similarity NPC472486
0.8481 Intermediate Similarity NPC472487
0.8462 Intermediate Similarity NPC472854
0.8462 Intermediate Similarity NPC133922
0.8442 Intermediate Similarity NPC89310
0.8421 Intermediate Similarity NPC6120
0.8421 Intermediate Similarity NPC327728
0.8421 Intermediate Similarity NPC324607
0.8421 Intermediate Similarity NPC213178
0.8421 Intermediate Similarity NPC131892
0.8421 Intermediate Similarity NPC321732
0.8415 Intermediate Similarity NPC469745
0.8395 Intermediate Similarity NPC472310
0.8375 Intermediate Similarity NPC264602
0.8375 Intermediate Similarity NPC475031
0.8354 Intermediate Similarity NPC174964
0.8354 Intermediate Similarity NPC97534
0.8354 Intermediate Similarity NPC195155
0.8354 Intermediate Similarity NPC21220
0.8354 Intermediate Similarity NPC125767
0.8354 Intermediate Similarity NPC273366
0.8313 Intermediate Similarity NPC30583
0.8272 Intermediate Similarity NPC185465
0.825 Intermediate Similarity NPC4209
0.825 Intermediate Similarity NPC5767
0.825 Intermediate Similarity NPC475742
0.8228 Intermediate Similarity NPC167702
0.8228 Intermediate Similarity NPC280026
0.8182 Intermediate Similarity NPC46758
0.8171 Intermediate Similarity NPC320144
0.8152 Intermediate Similarity NPC476294
0.8148 Intermediate Similarity NPC221420
0.8148 Intermediate Similarity NPC180199
0.8148 Intermediate Similarity NPC207010
0.8148 Intermediate Similarity NPC477919
0.8148 Intermediate Similarity NPC317913
0.814 Intermediate Similarity NPC92139
0.8125 Intermediate Similarity NPC24014
0.8125 Intermediate Similarity NPC472311
0.8125 Intermediate Similarity NPC27349
0.8125 Intermediate Similarity NPC212733
0.8118 Intermediate Similarity NPC474996
0.8118 Intermediate Similarity NPC50438
0.8049 Intermediate Similarity NPC199965
0.8049 Intermediate Similarity NPC171426
0.8049 Intermediate Similarity NPC34046
0.8049 Intermediate Similarity NPC476732
0.8049 Intermediate Similarity NPC224802
0.8049 Intermediate Similarity NPC80089
0.8049 Intermediate Similarity NPC324700
0.8022 Intermediate Similarity NPC470031
0.8 Intermediate Similarity NPC130011
0.7976 Intermediate Similarity NPC58631
0.7976 Intermediate Similarity NPC12933
0.7955 Intermediate Similarity NPC90676
0.7952 Intermediate Similarity NPC80891
0.7952 Intermediate Similarity NPC201276
0.7931 Intermediate Similarity NPC472272
0.7931 Intermediate Similarity NPC474448
0.7927 Intermediate Similarity NPC298168
0.7927 Intermediate Similarity NPC143133
0.7912 Intermediate Similarity NPC206878
0.7907 Intermediate Similarity NPC105895
0.7907 Intermediate Similarity NPC474233
0.7901 Intermediate Similarity NPC267753
0.7901 Intermediate Similarity NPC159789
0.7882 Intermediate Similarity NPC289486
0.7882 Intermediate Similarity NPC268040
0.7882 Intermediate Similarity NPC477935
0.7882 Intermediate Similarity NPC61107
0.7865 Intermediate Similarity NPC61688
0.7857 Intermediate Similarity NPC472853
0.7841 Intermediate Similarity NPC202937
0.7841 Intermediate Similarity NPC263802
0.7831 Intermediate Similarity NPC329117
0.7831 Intermediate Similarity NPC26029
0.7821 Intermediate Similarity NPC473225
0.7805 Intermediate Similarity NPC108840
0.7802 Intermediate Similarity NPC233118
0.7802 Intermediate Similarity NPC476189
0.7791 Intermediate Similarity NPC472744
0.7791 Intermediate Similarity NPC259173
0.7778 Intermediate Similarity NPC168511
0.7778 Intermediate Similarity NPC477930
0.7778 Intermediate Similarity NPC159325
0.7778 Intermediate Similarity NPC304499
0.7765 Intermediate Similarity NPC77311
0.7763 Intermediate Similarity NPC159654
0.7763 Intermediate Similarity NPC167995
0.7763 Intermediate Similarity NPC281540
0.7763 Intermediate Similarity NPC118937
0.775 Intermediate Similarity NPC126642
0.775 Intermediate Similarity NPC473267
0.775 Intermediate Similarity NPC311102
0.7742 Intermediate Similarity NPC49371
0.7742 Intermediate Similarity NPC476728
0.7738 Intermediate Similarity NPC52951
0.7727 Intermediate Similarity NPC80700
0.7722 Intermediate Similarity NPC252032
0.7722 Intermediate Similarity NPC476734
0.7722 Intermediate Similarity NPC107919
0.7722 Intermediate Similarity NPC469941
0.7722 Intermediate Similarity NPC319671
0.7711 Intermediate Similarity NPC477918
0.7711 Intermediate Similarity NPC474404
0.7701 Intermediate Similarity NPC471044
0.7701 Intermediate Similarity NPC25037
0.7701 Intermediate Similarity NPC475745
0.7701 Intermediate Similarity NPC473336
0.7701 Intermediate Similarity NPC474482
0.7701 Intermediate Similarity NPC319909
0.7701 Intermediate Similarity NPC34984
0.7683 Intermediate Similarity NPC317242
0.7677 Intermediate Similarity NPC316930
0.7674 Intermediate Similarity NPC121121
0.7674 Intermediate Similarity NPC477936
0.7667 Intermediate Similarity NPC76879
0.7654 Intermediate Similarity NPC68426
0.7654 Intermediate Similarity NPC282905
0.7654 Intermediate Similarity NPC153719
0.7654 Intermediate Similarity NPC477229
0.7654 Intermediate Similarity NPC81759
0.7647 Intermediate Similarity NPC261616
0.764 Intermediate Similarity NPC472497
0.7634 Intermediate Similarity NPC287354
0.7634 Intermediate Similarity NPC305808
0.7634 Intermediate Similarity NPC62407
0.7632 Intermediate Similarity NPC114891
0.7625 Intermediate Similarity NPC232925
0.7625 Intermediate Similarity NPC63588
0.7625 Intermediate Similarity NPC251201
0.7625 Intermediate Similarity NPC477929
0.7625 Intermediate Similarity NPC476731
0.7619 Intermediate Similarity NPC478128
0.7614 Intermediate Similarity NPC62572
0.7614 Intermediate Similarity NPC477445
0.7609 Intermediate Similarity NPC472148
0.7609 Intermediate Similarity NPC161035
0.7609 Intermediate Similarity NPC472232
0.7609 Intermediate Similarity NPC472147
0.7609 Intermediate Similarity NPC472231
0.76 Intermediate Similarity NPC320475
0.76 Intermediate Similarity NPC321661
0.7595 Intermediate Similarity NPC474954
0.759 Intermediate Similarity NPC163597
0.759 Intermediate Similarity NPC477932
0.759 Intermediate Similarity NPC477933
0.7586 Intermediate Similarity NPC268578
0.7586 Intermediate Similarity NPC292458
0.7586 Intermediate Similarity NPC475726
0.7586 Intermediate Similarity NPC472847
0.7586 Intermediate Similarity NPC472743
0.7586 Intermediate Similarity NPC217559
0.7579 Intermediate Similarity NPC191565
0.7576 Intermediate Similarity NPC165873
0.7564 Intermediate Similarity NPC44122
0.7558 Intermediate Similarity NPC50658
0.7556 Intermediate Similarity NPC477614
0.7556 Intermediate Similarity NPC474719
0.7556 Intermediate Similarity NPC226491
0.7553 Intermediate Similarity NPC116683
0.7551 Intermediate Similarity NPC327093
0.7531 Intermediate Similarity NPC469940
0.7531 Intermediate Similarity NPC290058
0.7531 Intermediate Similarity NPC472309
0.7529 Intermediate Similarity NPC31302
0.7529 Intermediate Similarity NPC245029
0.7528 Intermediate Similarity NPC120395
0.7528 Intermediate Similarity NPC302111
0.7528 Intermediate Similarity NPC472738
0.7528 Intermediate Similarity NPC248216
0.7528 Intermediate Similarity NPC80590
0.7528 Intermediate Similarity NPC472745
0.7527 Intermediate Similarity NPC64006
0.7527 Intermediate Similarity NPC309127
0.7527 Intermediate Similarity NPC247877
0.75 Intermediate Similarity NPC105208
0.75 Intermediate Similarity NPC71460
0.75 Intermediate Similarity NPC55503
0.75 Intermediate Similarity NPC66407
0.75 Intermediate Similarity NPC477227
0.75 Intermediate Similarity NPC477820
0.75 Intermediate Similarity NPC218585
0.75 Intermediate Similarity NPC192046
0.75 Intermediate Similarity NPC156324
0.75 Intermediate Similarity NPC148174

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328007 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
0.8684 High Similarity NPD4808 Clinical (unspecified phase)
0.8684 High Similarity NPD4809 Clinical (unspecified phase)
0.8553 High Similarity NPD4245 Approved
0.8553 High Similarity NPD4789 Approved
0.8553 High Similarity NPD4244 Approved
0.8421 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD3698 Phase 2
0.8289 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.8289 Intermediate Similarity NPD5360 Phase 3
0.825 Intermediate Similarity NPD6117 Approved
0.8228 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD6116 Phase 1
0.8049 Intermediate Similarity NPD6697 Approved
0.8049 Intermediate Similarity NPD6115 Approved
0.8049 Intermediate Similarity NPD6114 Approved
0.8049 Intermediate Similarity NPD6118 Approved
0.7975 Intermediate Similarity NPD6081 Approved
0.7901 Intermediate Similarity NPD3703 Phase 2
0.7895 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD4758 Discontinued
0.7722 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD4629 Approved
0.7634 Intermediate Similarity NPD5210 Approved
0.7625 Intermediate Similarity NPD4787 Phase 1
0.7619 Intermediate Similarity NPD5364 Discontinued
0.7619 Intermediate Similarity NPD3671 Phase 1
0.7586 Intermediate Similarity NPD4788 Approved
0.7531 Intermediate Similarity NPD5777 Approved
0.7474 Intermediate Similarity NPD4755 Approved
0.7473 Intermediate Similarity NPD4753 Phase 2
0.747 Intermediate Similarity NPD3702 Approved
0.7342 Intermediate Similarity NPD4224 Phase 2
0.732 Intermediate Similarity NPD5286 Approved
0.732 Intermediate Similarity NPD5285 Approved
0.732 Intermediate Similarity NPD4700 Approved
0.732 Intermediate Similarity NPD4696 Approved
0.7222 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD5696 Approved
0.7172 Intermediate Similarity NPD5211 Phase 2
0.7172 Intermediate Similarity NPD4633 Approved
0.7172 Intermediate Similarity NPD5226 Approved
0.7172 Intermediate Similarity NPD5225 Approved
0.7172 Intermediate Similarity NPD5224 Approved
0.7129 Intermediate Similarity NPD6675 Approved
0.7129 Intermediate Similarity NPD5739 Approved
0.7129 Intermediate Similarity NPD6402 Approved
0.7129 Intermediate Similarity NPD7128 Approved
0.7113 Intermediate Similarity NPD6083 Phase 2
0.7113 Intermediate Similarity NPD6084 Phase 2
0.7111 Intermediate Similarity NPD4786 Approved
0.71 Intermediate Similarity NPD5174 Approved
0.71 Intermediate Similarity NPD5175 Approved
0.7087 Intermediate Similarity NPD6373 Approved
0.7087 Intermediate Similarity NPD6372 Approved
0.7071 Intermediate Similarity NPD5223 Approved
0.7053 Intermediate Similarity NPD4202 Approved
0.7033 Intermediate Similarity NPD5329 Approved
0.703 Intermediate Similarity NPD5141 Approved
0.701 Intermediate Similarity NPD4697 Phase 3
0.699 Remote Similarity NPD6881 Approved
0.699 Remote Similarity NPD7320 Approved
0.699 Remote Similarity NPD6899 Approved
0.6961 Remote Similarity NPD4768 Approved
0.6961 Remote Similarity NPD4767 Approved
0.6957 Remote Similarity NPD3618 Phase 1
0.6952 Remote Similarity NPD6650 Approved
0.6952 Remote Similarity NPD6649 Approved
0.6947 Remote Similarity NPD8034 Phase 2
0.6947 Remote Similarity NPD8035 Phase 2
0.6931 Remote Similarity NPD4754 Approved
0.6923 Remote Similarity NPD3665 Phase 1
0.6923 Remote Similarity NPD3666 Approved
0.6923 Remote Similarity NPD3133 Approved
0.6923 Remote Similarity NPD4197 Approved
0.6915 Remote Similarity NPD5328 Approved
0.6893 Remote Similarity NPD5701 Approved
0.6893 Remote Similarity NPD5697 Approved
0.6889 Remote Similarity NPD3667 Approved
0.6863 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6883 Approved
0.6857 Remote Similarity NPD7290 Approved
0.6857 Remote Similarity NPD7102 Approved
0.6837 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5221 Approved
0.6837 Remote Similarity NPD5222 Approved
0.6827 Remote Similarity NPD4729 Approved
0.6827 Remote Similarity NPD5128 Approved
0.6827 Remote Similarity NPD4730 Approved
0.6796 Remote Similarity NPD6920 Discontinued
0.6792 Remote Similarity NPD6617 Approved
0.6792 Remote Similarity NPD6869 Approved
0.6792 Remote Similarity NPD8130 Phase 1
0.6792 Remote Similarity NPD6847 Approved
0.6771 Remote Similarity NPD6079 Approved
0.6768 Remote Similarity NPD5173 Approved
0.6762 Remote Similarity NPD6014 Approved
0.6762 Remote Similarity NPD6013 Approved
0.6762 Remote Similarity NPD6012 Approved
0.6735 Remote Similarity NPD5695 Phase 3
0.6729 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD8297 Approved
0.6703 Remote Similarity NPD4223 Phase 3
0.6703 Remote Similarity NPD4221 Approved
0.6701 Remote Similarity NPD6399 Phase 3
0.6698 Remote Similarity NPD5249 Phase 3
0.6698 Remote Similarity NPD5247 Approved
0.6698 Remote Similarity NPD5250 Approved
0.6698 Remote Similarity NPD5248 Approved
0.6698 Remote Similarity NPD4634 Approved
0.6698 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD6928 Phase 2
0.6636 Remote Similarity NPD5215 Approved
0.6636 Remote Similarity NPD5216 Approved
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5217 Approved
0.6629 Remote Similarity NPD3617 Approved
0.6596 Remote Similarity NPD5690 Phase 2
0.6596 Remote Similarity NPD5280 Approved
0.6596 Remote Similarity NPD4694 Approved
0.6596 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6596 Remote Similarity NPD5279 Phase 3
0.6593 Remote Similarity NPD4692 Approved
0.6593 Remote Similarity NPD4139 Approved
0.6582 Remote Similarity NPD3198 Approved
0.6542 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5135 Approved
0.6542 Remote Similarity NPD5169 Approved
0.6505 Remote Similarity NPD5091 Approved
0.6481 Remote Similarity NPD5127 Approved
0.6471 Remote Similarity NPD8418 Phase 2
0.6429 Remote Similarity NPD7515 Phase 2
0.6421 Remote Similarity NPD5205 Approved
0.6421 Remote Similarity NPD4693 Phase 3
0.6421 Remote Similarity NPD6098 Approved
0.6421 Remote Similarity NPD4690 Approved
0.6421 Remote Similarity NPD4688 Approved
0.6421 Remote Similarity NPD4138 Approved
0.6421 Remote Similarity NPD4689 Approved
0.6408 Remote Similarity NPD1700 Approved
0.6396 Remote Similarity NPD6274 Approved
0.6392 Remote Similarity NPD6904 Approved
0.6392 Remote Similarity NPD6673 Approved
0.6392 Remote Similarity NPD6080 Approved
0.6383 Remote Similarity NPD3668 Phase 3
0.6372 Remote Similarity NPD7100 Approved
0.6372 Remote Similarity NPD7101 Approved
0.6364 Remote Similarity NPD4632 Approved
0.6316 Remote Similarity NPD6054 Approved
0.6316 Remote Similarity NPD6059 Approved
0.6306 Remote Similarity NPD5167 Approved
0.6304 Remote Similarity NPD4748 Discontinued
0.6289 Remote Similarity NPD6672 Approved
0.6289 Remote Similarity NPD5737 Approved
0.6289 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6335 Approved
0.6263 Remote Similarity NPD5281 Approved
0.6263 Remote Similarity NPD5284 Approved
0.6261 Remote Similarity NPD6908 Approved
0.6261 Remote Similarity NPD6909 Approved
0.625 Remote Similarity NPD6684 Approved
0.625 Remote Similarity NPD6409 Approved
0.625 Remote Similarity NPD7521 Approved
0.625 Remote Similarity NPD7334 Approved
0.625 Remote Similarity NPD5330 Approved
0.625 Remote Similarity NPD7146 Approved
0.6238 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6214 Remote Similarity NPD7638 Approved
0.6207 Remote Similarity NPD6370 Approved
0.6204 Remote Similarity NPD5168 Approved
0.6204 Remote Similarity NPD5345 Clinical (unspecified phase)
0.62 Remote Similarity NPD8171 Discontinued
0.62 Remote Similarity NPD5133 Approved
0.6195 Remote Similarity NPD6317 Approved
0.6195 Remote Similarity NPD6009 Approved
0.6174 Remote Similarity NPD6319 Approved
0.6154 Remote Similarity NPD7640 Approved
0.6154 Remote Similarity NPD7639 Approved
0.614 Remote Similarity NPD6313 Approved
0.614 Remote Similarity NPD6314 Approved
0.6139 Remote Similarity NPD7748 Approved
0.6122 Remote Similarity NPD6903 Approved
0.6121 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6121 Remote Similarity NPD6016 Approved
0.6121 Remote Similarity NPD6015 Approved
0.6117 Remote Similarity NPD7902 Approved
0.6111 Remote Similarity NPD6412 Phase 2
0.6111 Remote Similarity NPD6942 Approved
0.6111 Remote Similarity NPD7339 Approved
0.6102 Remote Similarity NPD7492 Approved
0.61 Remote Similarity NPD5693 Phase 1
0.61 Remote Similarity NPD6050 Approved
0.6087 Remote Similarity NPD4802 Phase 2
0.6087 Remote Similarity NPD4238 Approved
0.6083 Remote Similarity NPD7736 Approved
0.6071 Remote Similarity NPD8133 Approved
0.6068 Remote Similarity NPD5988 Approved

Structure

External Identifiers

PubChem CID   5866
ChEMBL   CHEMBL1908043
ZINC  

Physicochemical Properties

Molecular Weight:  364.22
ALogP:  -1.6052
MLogP:  3.22
XLogP:  1.412
# Rotatable Bonds:  7
Polar Surface Area:  94.83
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  26

Download Data

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