Natural Product: NPC474952

Natural Product ID:  NPC474952
Common Name:   Rubrobramide
IUPAC Name:  
Synonyms:   Rubrobramide
Molecular Formula:   C12H17NO5
Standard InCHIKey:  DDXFYNDEHYHXPW-JTLRNRKASA-N
Standard InCHI:  InChI=1S/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10+,11+,12+/m0/s1
Canonical SMILES:  CC(C[C@@]12N=C([C@@]3([C@H]2O[C@@](O1)(C)CC3=O)O)O)C
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
NPO33218 cladobotyrum rubrobrunnescens Species NA NA PMID[9625624]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus Activity = 50 % 22037378
NPT3130 Organism Lepidium sativum Lepidium sativum Activity = 50 % 16203143
NPT6493 Organism Setaria italica Setaria italica Activity = 50 % 16203143

  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 NPC474952 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
0.6667 Remote Similarity NPC227622
0.6635 Remote Similarity NPC292345
0.6579 Remote Similarity NPC137453
0.6569 Remote Similarity NPC476523
0.6514 Remote Similarity NPC160066
0.6449 Remote Similarity NPC270005
0.6449 Remote Similarity NPC208537
0.6423 Remote Similarity NPC469515
0.64 Remote Similarity NPC469494
0.6389 Remote Similarity NPC226513
0.6381 Remote Similarity NPC51662
0.6381 Remote Similarity NPC314364
0.6346 Remote Similarity NPC478111
0.633 Remote Similarity NPC470283
0.6321 Remote Similarity NPC470284
0.63 Remote Similarity NPC473984
0.6283 Remote Similarity NPC42320
0.6283 Remote Similarity NPC188453
0.6239 Remote Similarity NPC469998
0.6216 Remote Similarity NPC189629
0.6207 Remote Similarity NPC471844
0.619 Remote Similarity NPC51267
0.6186 Remote Similarity NPC474725
0.6121 Remote Similarity NPC14537
0.6095 Remote Similarity NPC115995
0.609 Remote Similarity NPC472428
0.6068 Remote Similarity NPC473252
0.6053 Remote Similarity NPC225978
0.6053 Remote Similarity NPC206711
0.6053 Remote Similarity NPC255175
0.6053 Remote Similarity NPC271207
0.6045 Remote Similarity NPC472430
0.604 Remote Similarity NPC474003
0.6019 Remote Similarity NPC470009
0.6017 Remote Similarity NPC42590
0.6017 Remote Similarity NPC469787
0.6017 Remote Similarity NPC475800
0.6017 Remote Similarity NPC176756
0.6017 Remote Similarity NPC469788
0.6017 Remote Similarity NPC290247
0.6 Remote Similarity NPC228411
0.6 Remote Similarity NPC305085
0.6 Remote Similarity NPC84042
0.6 Remote Similarity NPC178853
0.6 Remote Similarity NPC469627
0.5981 Remote Similarity NPC477728
0.5966 Remote Similarity NPC167044
0.5966 Remote Similarity NPC475150
0.5965 Remote Similarity NPC234542
0.5965 Remote Similarity NPC274695
0.5943 Remote Similarity NPC253975
0.5943 Remote Similarity NPC192025
0.5943 Remote Similarity NPC227051
0.5943 Remote Similarity NPC125253
0.5938 Remote Similarity NPC469925
0.5932 Remote Similarity NPC478038
0.5926 Remote Similarity NPC52533
0.5917 Remote Similarity NPC217041
0.5917 Remote Similarity NPC473578
0.5913 Remote Similarity NPC473224
0.5909 Remote Similarity NPC65359
0.5906 Remote Similarity NPC23963
0.5906 Remote Similarity NPC477238
0.5905 Remote Similarity NPC47135
0.5899 Remote Similarity NPC803
0.5888 Remote Similarity NPC83839
0.5882 Remote Similarity NPC477680
0.5878 Remote Similarity NPC329919
0.5878 Remote Similarity NPC477793
0.5877 Remote Similarity NPC278028
0.5877 Remote Similarity NPC328180
0.5868 Remote Similarity NPC182185
0.5859 Remote Similarity NPC96322
0.5859 Remote Similarity NPC320865
0.5859 Remote Similarity NPC184550
0.5859 Remote Similarity NPC185419
0.5859 Remote Similarity NPC477641
0.5859 Remote Similarity NPC477643
0.5849 Remote Similarity NPC155670
0.5849 Remote Similarity NPC145748
0.5849 Remote Similarity NPC95478
0.5833 Remote Similarity NPC476717
0.5833 Remote Similarity NPC471471
0.5833 Remote Similarity NPC164476
0.5833 Remote Similarity NPC70235
0.5833 Remote Similarity NPC470657
0.5826 Remote Similarity NPC253995
0.5825 Remote Similarity NPC470014
0.5825 Remote Similarity NPC51695
0.5825 Remote Similarity NPC253703
0.5825 Remote Similarity NPC200085
0.5825 Remote Similarity NPC314858
0.582 Remote Similarity NPC12270
0.582 Remote Similarity NPC473062
0.5818 Remote Similarity NPC477729
0.5816 Remote Similarity NPC477642
0.5812 Remote Similarity NPC80640
0.5812 Remote Similarity NPC477198
0.5804 Remote Similarity NPC475788
0.58 Remote Similarity NPC291228
0.58 Remote Similarity NPC308096
0.5798 Remote Similarity NPC469441
0.5798 Remote Similarity NPC41674
0.5798 Remote Similarity NPC228311
0.5798 Remote Similarity NPC475918
0.5797 Remote Similarity NPC265908
0.5794 Remote Similarity NPC473791
0.5789 Remote Similarity NPC123141
0.578 Remote Similarity NPC470282
0.578 Remote Similarity NPC31349
0.5778 Remote Similarity NPC78189
0.5776 Remote Similarity NPC80417
0.5772 Remote Similarity NPC261750
0.5772 Remote Similarity NPC469865
0.5772 Remote Similarity NPC1111
0.5772 Remote Similarity NPC98870
0.5766 Remote Similarity NPC230889
0.5763 Remote Similarity NPC215988
0.576 Remote Similarity NPC30196
0.5755 Remote Similarity NPC82931
0.5755 Remote Similarity NPC210729
0.5755 Remote Similarity NPC172365
0.5752 Remote Similarity NPC471496
0.5748 Remote Similarity NPC477237
0.5746 Remote Similarity NPC139585
0.5745 Remote Similarity NPC475892
0.5743 Remote Similarity NPC125164
0.5743 Remote Similarity NPC477867
0.5743 Remote Similarity NPC215030
0.5743 Remote Similarity NPC138273
0.5739 Remote Similarity NPC218064
0.5739 Remote Similarity NPC266842
0.5729 Remote Similarity NPC469926
0.5728 Remote Similarity NPC316242
0.5728 Remote Similarity NPC83108
0.5728 Remote Similarity NPC214030
0.5728 Remote Similarity NPC70996
0.5727 Remote Similarity NPC471221
0.5727 Remote Similarity NPC221993
0.5727 Remote Similarity NPC203170
0.5726 Remote Similarity NPC162024
0.5726 Remote Similarity NPC28224
0.5725 Remote Similarity NPC474371
0.5714 Remote Similarity NPC154962
0.5714 Remote Similarity NPC177518
0.5714 Remote Similarity NPC114365
0.5714 Remote Similarity NPC88890
0.5714 Remote Similarity NPC267637
0.5714 Remote Similarity NPC132304
0.5714 Remote Similarity NPC18044
0.5714 Remote Similarity NPC123070
0.5714 Remote Similarity NPC169089
0.5714 Remote Similarity NPC474699
0.5714 Remote Similarity NPC6531
0.5714 Remote Similarity NPC18433
0.5714 Remote Similarity NPC121601
0.5703 Remote Similarity NPC305261
0.5702 Remote Similarity NPC329876
0.5702 Remote Similarity NPC475900
0.5702 Remote Similarity NPC473334
0.57 Remote Similarity NPC474403
0.5693 Remote Similarity NPC145899
0.5688 Remote Similarity NPC469626
0.5688 Remote Similarity NPC475491
0.5674 Remote Similarity NPC475152
0.5674 Remote Similarity NPC475584
0.5674 Remote Similarity NPC475394
0.5673 Remote Similarity NPC475616
0.5673 Remote Similarity NPC315131
0.5673 Remote Similarity NPC478017
0.5673 Remote Similarity NPC315535
0.5667 Remote Similarity NPC168890
0.5667 Remote Similarity NPC184805
0.5667 Remote Similarity NPC273189
0.5662 Remote Similarity NPC76999
0.5662 Remote Similarity NPC477072
0.5652 Remote Similarity NPC476728
0.5652 Remote Similarity NPC476009
0.5652 Remote Similarity NPC158416
0.5652 Remote Similarity NPC76862
0.5652 Remote Similarity NPC470883
0.5652 Remote Similarity NPC474297
0.5652 Remote Similarity NPC39859
0.5649 Remote Similarity NPC313342
0.5649 Remote Similarity NPC314451
0.5649 Remote Similarity NPC204639
0.5649 Remote Similarity NPC314512
0.5649 Remote Similarity NPC313333
0.5648 Remote Similarity NPC79308
0.5645 Remote Similarity NPC60432
0.5644 Remote Similarity NPC473699
0.5644 Remote Similarity NPC475232
0.5644 Remote Similarity NPC473775
0.5644 Remote Similarity NPC475260
0.5644 Remote Similarity NPC51249
0.5644 Remote Similarity NPC474100
0.5635 Remote Similarity NPC471845
0.5635 Remote Similarity NPC471846
0.5635 Remote Similarity NPC475490
0.5635 Remote Similarity NPC202722

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474952 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
0.6757 Remote Similarity NPD8275 Approved
0.6757 Remote Similarity NPD8276 Approved
0.6667 Remote Similarity NPD8084 Approved
0.6667 Remote Similarity NPD8139 Approved
0.6667 Remote Similarity NPD8138 Approved
0.6667 Remote Similarity NPD8086 Approved
0.6667 Remote Similarity NPD8085 Approved
0.6667 Remote Similarity NPD8083 Approved
0.6667 Remote Similarity NPD8082 Approved
0.6637 Remote Similarity NPD8393 Approved
0.6635 Remote Similarity NPD618 Clinical (unspecified phase)
0.6549 Remote Similarity NPD8081 Approved
0.6466 Remote Similarity NPD8305 Approved
0.6466 Remote Similarity NPD8306 Approved
0.6435 Remote Similarity NPD8307 Discontinued
0.6435 Remote Similarity NPD8140 Approved
0.6389 Remote Similarity NPD1447 Phase 3
0.6389 Remote Similarity NPD1446 Phase 3
0.6372 Remote Similarity NPD8301 Approved
0.6372 Remote Similarity NPD8300 Approved
0.6271 Remote Similarity NPD8087 Discontinued
0.619 Remote Similarity NPD619 Phase 3
0.6186 Remote Similarity NPD6941 Approved
0.616 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6111 Remote Similarity NPD8080 Discontinued
0.6106 Remote Similarity NPD2255 Approved
0.608 Remote Similarity NPD8345 Approved
0.608 Remote Similarity NPD8346 Approved
0.608 Remote Similarity NPD8347 Approved
0.6019 Remote Similarity NPD4264 Clinical (unspecified phase)
0.6 Remote Similarity NPD1453 Phase 1
0.5968 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5962 Remote Similarity NPD1448 Clinical (unspecified phase)
0.5948 Remote Similarity NPD7139 Approved
0.5948 Remote Similarity NPD7141 Clinical (unspecified phase)
0.5948 Remote Similarity NPD7140 Approved
0.5905 Remote Similarity NPD7345 Approved
0.5859 Remote Similarity NPD2256 Clinical (unspecified phase)
0.5842 Remote Similarity NPD2257 Approved
0.5833 Remote Similarity NPD8174 Phase 2
0.582 Remote Similarity NPD1719 Phase 1
0.5818 Remote Similarity NPD3716 Discontinued
0.5784 Remote Similarity NPD2689 Clinical (unspecified phase)
0.5781 Remote Similarity NPD8266 Approved
0.5781 Remote Similarity NPD8269 Approved
0.5781 Remote Similarity NPD8267 Approved
0.5781 Remote Similarity NPD8268 Approved
0.5755 Remote Similarity NPD883 Phase 2
0.5755 Remote Similarity NPD882 Phase 2
0.5752 Remote Similarity NPD8394 Approved
0.5714 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5691 Remote Similarity NPD2690 Discontinued
0.5673 Remote Similarity NPD7917 Clinical (unspecified phase)
0.5673 Remote Similarity NPD7918 Clinical (unspecified phase)
0.5673 Remote Similarity NPD4802 Phase 2
0.5673 Remote Similarity NPD4238 Approved
0.5652 Remote Similarity NPD6428 Approved
0.5649 Remote Similarity NPD8342 Approved
0.5649 Remote Similarity NPD8340 Approved
0.5649 Remote Similarity NPD8341 Approved
0.5649 Remote Similarity NPD8299 Approved
0.5636 Remote Similarity NPD4759 Clinical (unspecified phase)
0.5614 Remote Similarity NPD5282 Discontinued
0.561 Remote Similarity NPD6421 Discontinued
0.5606 Remote Similarity NPD8451 Approved

Structure

External Identifiers

PubChem CID   3081358
ChEMBL   CHEMBL490137
ZINC  

Physicochemical Properties

Molecular Weight:  255.11
ALogP:  -0.4946
MLogP:  2.12
XLogP:  0.785
# Rotatable Bonds:  7
Polar Surface Area:  88.35
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

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Similar NPs/Drugs