Natural Product: NPC122542

Natural Product ID:  NPC122542
Common Name:   L-Glutamic Acid 5-[(2-Hydroxyphenyl)-Hydrazide]
IUPAC Name:   (2S)-2-amino-5-[2-(2-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
Synonyms:  
Molecular Formula:   C11H15N3O4
Standard InCHIKey:  CRSVHQICRXRCEP-ZETCQYMHSA-N
Standard InCHI:  InChI=1S/C11H15N3O4/c12-7(11(17)18)5-6-10(16)14-13-8-3-1-2-4-9(8)15/h1-4,7,13,15H,5-6,12H2,(H,14,16)(H,17,18)/t7-/m0/s1
Canonical SMILES:  OC(=O)[C@H](CCC(=NNc1ccccc1O)O)N
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
NPO14642 Lichina pygmaea Species Lichinaceae Eukaryota PMID[20570625]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT319 Cell Line B16 Mus musculus Inhibition = 100 % 10.6019/CHEMBL1201861
NPT319 Cell Line B16 Mus musculus IC50 = 14000 nM 10.6019/CHEMBL1201861
NPT319 Cell Line B16 Mus musculus Inhibition = 100 % 18651771
NPT1083 Cell Line A-375 Homo sapiens Inhibition = 11 % PubChem BioAssay data set
NPT1083 Cell Line A-375 Homo sapiens IC50 > 50000 nM PubChem BioAssay data set
NPT1083 Cell Line A-375 Homo sapiens Inhibition = 19 % 20815366
NPT1083 Cell Line A-375 Homo sapiens IC50 > 50000 nM 18723353
NPT319 Cell Line B16 Mus musculus IC50 = 20000 nM 12880316

  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 NPC122542 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
0.9535 High Similarity NPC91615
0.9248 High Similarity NPC469828
0.7538 Intermediate Similarity NPC255721
0.748 Intermediate Similarity NPC311660
0.7365 Intermediate Similarity NPC469829
0.7248 Intermediate Similarity NPC47986
0.7161 Intermediate Similarity NPC241392
0.7133 Intermediate Similarity NPC314252
0.7121 Intermediate Similarity NPC76327
0.7101 Intermediate Similarity NPC469831
0.7078 Intermediate Similarity NPC259678
0.7054 Intermediate Similarity NPC70201
0.6972 Remote Similarity NPC27581
0.6936 Remote Similarity NPC469830
0.6871 Remote Similarity NPC325651
0.6842 Remote Similarity NPC181527
0.6838 Remote Similarity NPC9336
0.6815 Remote Similarity NPC315829
0.6797 Remote Similarity NPC181526
0.6786 Remote Similarity NPC188867
0.6786 Remote Similarity NPC281686
0.6786 Remote Similarity NPC106551
0.6779 Remote Similarity NPC326966
0.6767 Remote Similarity NPC256838
0.6761 Remote Similarity NPC321869
0.6667 Remote Similarity NPC313466
0.6643 Remote Similarity NPC239697
0.6643 Remote Similarity NPC319950
0.6629 Remote Similarity NPC477391
0.6627 Remote Similarity NPC83241
0.6558 Remote Similarity NPC43218
0.655 Remote Similarity NPC95412
0.6538 Remote Similarity NPC314113
0.6519 Remote Similarity NPC323798
0.6516 Remote Similarity NPC48202
0.6496 Remote Similarity NPC44836
0.6484 Remote Similarity NPC92689
0.6479 Remote Similarity NPC222982
0.6458 Remote Similarity NPC317784
0.6458 Remote Similarity NPC142638
0.6454 Remote Similarity NPC264782
0.6452 Remote Similarity NPC316574
0.6438 Remote Similarity NPC326079
0.6433 Remote Similarity NPC91953
0.6424 Remote Similarity NPC478147
0.6405 Remote Similarity NPC208022
0.6403 Remote Similarity NPC172046
0.6384 Remote Similarity NPC477392
0.6384 Remote Similarity NPC315934
0.6369 Remote Similarity NPC197921
0.6369 Remote Similarity NPC204156
0.6364 Remote Similarity NPC297584
0.6358 Remote Similarity NPC145888
0.6358 Remote Similarity NPC16031
0.6358 Remote Similarity NPC161593
0.6329 Remote Similarity NPC469360
0.6301 Remote Similarity NPC283760
0.6299 Remote Similarity NPC244866
0.6286 Remote Similarity NPC315631
0.6284 Remote Similarity NPC142577
0.6284 Remote Similarity NPC474862
0.6272 Remote Similarity NPC191863
0.6272 Remote Similarity NPC133470
0.6272 Remote Similarity NPC289776
0.625 Remote Similarity NPC296712
0.6233 Remote Similarity NPC229353
0.6216 Remote Similarity NPC108847
0.62 Remote Similarity NPC315632
0.6194 Remote Similarity NPC88667
0.619 Remote Similarity NPC116573
0.6188 Remote Similarity NPC301702
0.6178 Remote Similarity NPC6570
0.6176 Remote Similarity NPC475983
0.6163 Remote Similarity NPC127362
0.6163 Remote Similarity NPC314861
0.6159 Remote Similarity NPC257142
0.6158 Remote Similarity NPC474815
0.6143 Remote Similarity NPC37584
0.6139 Remote Similarity NPC287358
0.6131 Remote Similarity NPC477889
0.6129 Remote Similarity NPC48909
0.6125 Remote Similarity NPC43477
0.6111 Remote Similarity NPC309808
0.6101 Remote Similarity NPC238412
0.6101 Remote Similarity NPC476475
0.6092 Remote Similarity NPC471778
0.6087 Remote Similarity NPC13696
0.6084 Remote Similarity NPC163674
0.6084 Remote Similarity NPC227553
0.6078 Remote Similarity NPC58827
0.6078 Remote Similarity NPC476353
0.6078 Remote Similarity NPC307437
0.6078 Remote Similarity NPC72473
0.6065 Remote Similarity NPC473987
0.6058 Remote Similarity NPC29601
0.6053 Remote Similarity NPC205946
0.6048 Remote Similarity NPC284348
0.6047 Remote Similarity NPC189116
0.6045 Remote Similarity NPC8467
0.604 Remote Similarity NPC130931
0.604 Remote Similarity NPC150323
0.6038 Remote Similarity NPC166667
0.6037 Remote Similarity NPC146370
0.6034 Remote Similarity NPC39822
0.6027 Remote Similarity NPC317254
0.6026 Remote Similarity NPC45191
0.6023 Remote Similarity NPC19023
0.6023 Remote Similarity NPC231862
0.6014 Remote Similarity NPC226914
0.6014 Remote Similarity NPC329358
0.6 Remote Similarity NPC322735
0.5989 Remote Similarity NPC132751
0.5988 Remote Similarity NPC57105
0.5985 Remote Similarity NPC125732
0.5976 Remote Similarity NPC119569
0.5975 Remote Similarity NPC6913
0.5974 Remote Similarity NPC321561
0.5969 Remote Similarity NPC214368
0.5966 Remote Similarity NPC253810
0.5963 Remote Similarity NPC282087
0.5963 Remote Similarity NPC259800
0.5963 Remote Similarity NPC317741
0.5963 Remote Similarity NPC328137
0.5963 Remote Similarity NPC318984
0.5963 Remote Similarity NPC318028
0.5963 Remote Similarity NPC241086
0.5959 Remote Similarity NPC118202
0.5959 Remote Similarity NPC329190
0.5957 Remote Similarity NPC327481
0.5949 Remote Similarity NPC253476
0.5946 Remote Similarity NPC311737
0.5946 Remote Similarity NPC38458
0.5944 Remote Similarity NPC290566
0.5944 Remote Similarity NPC145638
0.5939 Remote Similarity NPC17760
0.5939 Remote Similarity NPC478039
0.5939 Remote Similarity NPC473769
0.5938 Remote Similarity NPC126637
0.5932 Remote Similarity NPC225381
0.592 Remote Similarity NPC61004
0.5917 Remote Similarity NPC473580
0.5916 Remote Similarity NPC45459
0.5916 Remote Similarity NPC315491
0.5915 Remote Similarity NPC473804
0.5912 Remote Similarity NPC470441
0.5909 Remote Similarity NPC46009
0.5906 Remote Similarity NPC70549
0.5896 Remote Similarity NPC199737
0.5894 Remote Similarity NPC56634
0.589 Remote Similarity NPC66518
0.5886 Remote Similarity NPC470392
0.5885 Remote Similarity NPC472330
0.5885 Remote Similarity NPC472329
0.5878 Remote Similarity NPC82963
0.5872 Remote Similarity NPC469243
0.587 Remote Similarity NPC288854
0.5864 Remote Similarity NPC197239
0.5864 Remote Similarity NPC326860
0.5862 Remote Similarity NPC329011
0.5857 Remote Similarity NPC164859
0.5857 Remote Similarity NPC178902
0.5857 Remote Similarity NPC68055
0.5852 Remote Similarity NPC476483
0.5852 Remote Similarity NPC315388
0.5845 Remote Similarity NPC231705
0.5843 Remote Similarity NPC470395
0.5839 Remote Similarity NPC473055
0.5839 Remote Similarity NPC473052
0.5829 Remote Similarity NPC70340
0.5829 Remote Similarity NPC92803
0.5825 Remote Similarity NPC476098
0.5822 Remote Similarity NPC474584
0.5818 Remote Similarity NPC470403
0.5818 Remote Similarity NPC81026
0.5818 Remote Similarity NPC470404
0.5818 Remote Similarity NPC470394
0.5818 Remote Similarity NPC260601
0.5812 Remote Similarity NPC306376
0.5811 Remote Similarity NPC160179
0.5808 Remote Similarity NPC254798
0.5808 Remote Similarity NPC220523
0.5806 Remote Similarity NPC18890
0.5802 Remote Similarity NPC322526
0.5801 Remote Similarity NPC269750
0.5801 Remote Similarity NPC194671
0.5797 Remote Similarity NPC107619
0.5793 Remote Similarity NPC319579
0.5792 Remote Similarity NPC272375
0.5789 Remote Similarity NPC473051
0.5789 Remote Similarity NPC473050
0.5786 Remote Similarity NPC328070
0.578 Remote Similarity NPC475544
0.578 Remote Similarity NPC103250
0.5779 Remote Similarity NPC317758
0.5775 Remote Similarity NPC144381
0.5771 Remote Similarity NPC223207
0.5771 Remote Similarity NPC139506
0.5771 Remote Similarity NPC292143
0.5769 Remote Similarity NPC98416
0.5765 Remote Similarity NPC39431

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC122542 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
0.7333 Intermediate Similarity NPD9342 Approved
0.7121 Intermediate Similarity NPD9507 Approved
0.6943 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3136 Phase 2
0.6815 Remote Similarity NPD2114 Discontinued
0.6806 Remote Similarity NPD522 Approved
0.6786 Remote Similarity NPD9568 Approved
0.6689 Remote Similarity NPD1393 Approved
0.6594 Remote Similarity NPD9376 Approved
0.6579 Remote Similarity NPD756 Suspended
0.6534 Remote Similarity NPD6045 Phase 3
0.6478 Remote Similarity NPD302 Approved
0.6463 Remote Similarity NPD3684 Discontinued
0.6452 Remote Similarity NPD9279 Approved
0.6448 Remote Similarity NPD6161 Approved
0.6448 Remote Similarity NPD6162 Approved
0.6415 Remote Similarity NPD1196 Approved
0.641 Remote Similarity NPD6866 Clinical (unspecified phase)
0.641 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6407 Remote Similarity NPD3556 Approved
0.6407 Remote Similarity NPD3558 Approved
0.6407 Remote Similarity NPD3557 Approved
0.6407 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6407 Remote Similarity NPD3560 Approved
0.6369 Remote Similarity NPD3391 Approved
0.6369 Remote Similarity NPD1422 Approved
0.6364 Remote Similarity NPD256 Approved
0.6364 Remote Similarity NPD255 Approved
0.6358 Remote Similarity NPD9569 Approved
0.6352 Remote Similarity NPD1195 Approved
0.6347 Remote Similarity NPD6283 Phase 2
0.6346 Remote Similarity NPD3096 Phase 2
0.6329 Remote Similarity NPD7978 Discontinued
0.6296 Remote Similarity NPD1543 Discontinued
0.6296 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6276 Remote Similarity NPD313 Approved
0.6276 Remote Similarity NPD254 Approved
0.6265 Remote Similarity NPD948 Phase 3
0.6258 Remote Similarity NPD1664 Clinical (unspecified phase)
0.6232 Remote Similarity NPD1040 Phase 2
0.6218 Remote Similarity NPD274 Approved
0.6218 Remote Similarity NPD275 Approved
0.6215 Remote Similarity NPD5445 Approved
0.6213 Remote Similarity NPD3241 Phase 2
0.6209 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6194 Remote Similarity NPD259 Phase 1
0.6194 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6188 Remote Similarity NPD75 Approved
0.6188 Remote Similarity NPD9277 Approved
0.6184 Remote Similarity NPD9723 Approved
0.6169 Remote Similarity NPD9537 Phase 1
0.6169 Remote Similarity NPD9536 Phase 1
0.6164 Remote Similarity NPD7450 Phase 2
0.6159 Remote Similarity NPD196 Phase 1
0.6136 Remote Similarity NPD2361 Approved
0.6127 Remote Similarity NPD2249 Approved
0.6127 Remote Similarity NPD2247 Approved
0.6125 Remote Similarity NPD9275 Approved
0.6125 Remote Similarity NPD9278 Suspended
0.6125 Remote Similarity NPD9274 Approved
0.6125 Remote Similarity NPD9276 Approved
0.6122 Remote Similarity NPD1759 Phase 1
0.6115 Remote Similarity NPD555 Phase 2
0.6114 Remote Similarity NPD3951 Phase 3
0.6114 Remote Similarity NPD3952 Approved
0.6114 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6108 Remote Similarity NPD2360 Approved
0.6092 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6084 Remote Similarity NPD7523 Phase 3
0.6084 Remote Similarity NPD8330 Clinical (unspecified phase)
0.608 Remote Similarity NPD2359 Approved
0.6074 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6062 Remote Similarity NPD9570 Approved
0.6062 Remote Similarity NPD4707 Clinical (unspecified phase)
0.6059 Remote Similarity NPD604 Clinical (unspecified phase)
0.6056 Remote Similarity NPD7883 Discontinued
0.6054 Remote Similarity NPD1758 Phase 1
0.6047 Remote Similarity NPD863 Approved
0.6047 Remote Similarity NPD861 Approved
0.6047 Remote Similarity NPD862 Approved
0.6043 Remote Similarity NPD9608 Approved
0.6043 Remote Similarity NPD9610 Approved
0.6042 Remote Similarity NPD181 Approved
0.604 Remote Similarity NPD9272 Approved
0.6038 Remote Similarity NPD6636 Phase 3
0.6036 Remote Similarity NPD2672 Discontinued
0.6025 Remote Similarity NPD9477 Approved
0.6011 Remote Similarity NPD3965 Phase 1
0.6 Remote Similarity NPD5871 Discontinued
0.6 Remote Similarity NPD204 Clinical (unspecified phase)
0.6 Remote Similarity NPD1839 Phase 1
0.6 Remote Similarity NPD822 Approved
0.5989 Remote Similarity NPD927 Approved
0.5974 Remote Similarity NPD7451 Discontinued
0.5974 Remote Similarity NPD257 Approved
0.5974 Remote Similarity NPD258 Approved
0.5972 Remote Similarity NPD308 Approved
0.5966 Remote Similarity NPD1913 Phase 1
0.5963 Remote Similarity NPD1537 Approved
0.5963 Remote Similarity NPD1538 Phase 1
0.5963 Remote Similarity NPD1519 Approved
0.5962 Remote Similarity NPD9718 Approved
0.5959 Remote Similarity NPD286 Approved
0.5948 Remote Similarity NPD9587 Clinical (unspecified phase)
0.5946 Remote Similarity NPD7617 Discontinued
0.5944 Remote Similarity NPD9380 Clinical (unspecified phase)
0.5943 Remote Similarity NPD1921 Clinical (unspecified phase)
0.5928 Remote Similarity NPD4186 Clinical (unspecified phase)
0.5926 Remote Similarity NPD7083 Clinical (unspecified phase)
0.5922 Remote Similarity NPD5334 Clinical (unspecified phase)
0.5916 Remote Similarity NPD484 Approved
0.5906 Remote Similarity NPD3812 Clinical (unspecified phase)
0.5906 Remote Similarity NPD7495 Discontinued
0.5906 Remote Similarity NPD8019 Approved
0.5901 Remote Similarity NPD5788 Clinical (unspecified phase)
0.5893 Remote Similarity NPD711 Discontinued
0.5892 Remote Similarity NPD1898 Discontinued
0.5892 Remote Similarity NPD5558 Clinical (unspecified phase)
0.5872 Remote Similarity NPD935 Clinical (unspecified phase)
0.587 Remote Similarity NPD3154 Approved
0.587 Remote Similarity NPD3153 Approved
0.5864 Remote Similarity NPD1523 Approved
0.5864 Remote Similarity NPD1522 Approved
0.5862 Remote Similarity NPD2098 Approved
0.586 Remote Similarity NPD1070 Approved
0.586 Remote Similarity NPD1069 Approved
0.5858 Remote Similarity NPD4003 Phase 3
0.5858 Remote Similarity NPD950 Clinical (unspecified phase)
0.5852 Remote Similarity NPD2681 Approved
0.5852 Remote Similarity NPD1394 Approved
0.5852 Remote Similarity NPD2889 Approved
0.5852 Remote Similarity NPD2890 Approved
0.5852 Remote Similarity NPD2017 Approved
0.5852 Remote Similarity NPD2680 Approved
0.5852 Remote Similarity NPD2888 Approved
0.585 Remote Similarity NPD9614 Approved
0.585 Remote Similarity NPD9618 Approved
0.5848 Remote Similarity NPD7105 Phase 1
0.5848 Remote Similarity NPD1187 Discontinued
0.5848 Remote Similarity NPD2366 Approved
0.5839 Remote Similarity NPD317 Approved
0.5839 Remote Similarity NPD1536 Approved
0.5839 Remote Similarity NPD318 Approved
0.5838 Remote Similarity NPD1012 Discontinued
0.5833 Remote Similarity NPD662 Approved
0.5833 Remote Similarity NPD663 Approved
0.5833 Remote Similarity NPD659 Approved
0.5833 Remote Similarity NPD6519 Phase 2
0.5833 Remote Similarity NPD658 Approved
0.5833 Remote Similarity NPD656 Approved
0.5819 Remote Similarity NPD4652 Approved
0.5818 Remote Similarity NPD5819 Phase 2
0.5818 Remote Similarity NPD1662 Clinical (unspecified phase)
0.5815 Remote Similarity NPD6163 Clinical (unspecified phase)
0.581 Remote Similarity NPD158 Discontinued
0.5792 Remote Similarity NPD3253 Clinical (unspecified phase)
0.5789 Remote Similarity NPD2956 Clinical (unspecified phase)
0.5789 Remote Similarity NPD9692 Approved
0.5789 Remote Similarity NPD1236 Phase 3
0.5789 Remote Similarity NPD9693 Approved
0.5787 Remote Similarity NPD4083 Discontinued
0.5779 Remote Similarity NPD182 Clinical (unspecified phase)
0.5778 Remote Similarity NPD1544 Phase 1
0.5774 Remote Similarity NPD5348 Clinical (unspecified phase)
0.5771 Remote Similarity NPD955 Approved
0.5769 Remote Similarity NPD849 Approved
0.5769 Remote Similarity NPD850 Approved
0.5769 Remote Similarity NPD848 Approved
0.5765 Remote Similarity NPD1633 Approved
0.5761 Remote Similarity NPD5895 Clinical (unspecified phase)
0.5756 Remote Similarity NPD2789 Approved
0.5756 Remote Similarity NPD2468 Approved
0.5756 Remote Similarity NPD6913 Approved
0.5756 Remote Similarity NPD3778 Approved
0.5756 Remote Similarity NPD2469 Approved
0.5753 Remote Similarity NPD9508 Approved
0.575 Remote Similarity NPD825 Approved
0.575 Remote Similarity NPD826 Approved
0.5749 Remote Similarity NPD7554 Discontinued
0.5747 Remote Similarity NPD2097 Approved
0.5741 Remote Similarity NPD1520 Approved
0.5741 Remote Similarity NPD1521 Approved
0.5739 Remote Similarity NPD8303 Discontinued
0.5733 Remote Similarity NPD9247 Phase 3
0.5732 Remote Similarity NPD6809 Clinical (unspecified phase)
0.5731 Remote Similarity NPD1634 Approved
0.5731 Remote Similarity NPD5811 Approved
0.5731 Remote Similarity NPD5639 Clinical (unspecified phase)
0.5725 Remote Similarity NPD9566 Approved
0.5724 Remote Similarity NPD1108 Approved
0.5724 Remote Similarity NPD1107 Approved
0.5723 Remote Similarity NPD864 Approved
0.5723 Remote Similarity NPD865 Approved
0.5723 Remote Similarity NPD3400 Discontinued
0.5714 Remote Similarity NPD964 Approved
0.5714 Remote Similarity NPD738 Approved
0.5714 Remote Similarity NPD9694 Discovery
0.5706 Remote Similarity NPD6864 Phase 2
0.5706 Remote Similarity NPD3587 Clinical (unspecified phase)
0.5706 Remote Similarity NPD6865 Phase 2

Structure

External Identifiers

PubChem CID   46911433
ChEMBL   CHEMBL1210425
ZINC  

Physicochemical Properties

Molecular Weight:  253.11
ALogP:  -2.3623
MLogP:  1.9
XLogP:  -0.494
# Rotatable Bonds:  10
Polar Surface Area:  128.17
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  18

Download Data

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