Natural Product: NPC325709

Natural Product ID:  NPC325709
Common Name:   1-Naphthaldehyde
IUPAC Name:   naphthalene-1-carbaldehyde
Synonyms:  
Molecular Formula:   C11H8O
Standard InCHIKey:  SQAINHDHICKHLX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
Canonical SMILES:  O=Cc1cccc2c1cccc2
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
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1890 Individual Protein Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens IC50 > 20000 nM 24749861

  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 NPC325709 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
0.9765 High Similarity NPC103346
0.9186 High Similarity NPC153308
0.908 High Similarity NPC418308
0.9048 High Similarity NPC39600
0.8977 High Similarity NPC277277
0.8953 High Similarity NPC164526
0.875 High Similarity NPC267262
0.8652 High Similarity NPC113307
0.8621 High Similarity NPC252067
0.8605 High Similarity NPC197581
0.8588 High Similarity NPC12936
0.8588 High Similarity NPC273033
0.8587 High Similarity NPC472880
0.8556 High Similarity NPC19256
0.8523 High Similarity NPC160339
0.8523 High Similarity NPC307
0.8478 Intermediate Similarity NPC289883
0.8471 Intermediate Similarity NPC71664
0.8434 Intermediate Similarity NPC78500
0.8391 Intermediate Similarity NPC273758
0.8372 Intermediate Similarity NPC100039
0.8372 Intermediate Similarity NPC73978
0.8352 Intermediate Similarity NPC173413
0.8333 Intermediate Similarity NPC157778
0.8316 Intermediate Similarity NPC49994
0.8261 Intermediate Similarity NPC133461
0.8235 Intermediate Similarity NPC137847
0.8235 Intermediate Similarity NPC76455
0.8222 Intermediate Similarity NPC43945
0.8193 Intermediate Similarity NPC208075
0.8182 Intermediate Similarity NPC215008
0.8172 Intermediate Similarity NPC59677
0.8172 Intermediate Similarity NPC323420
0.8172 Intermediate Similarity NPC155232
0.8172 Intermediate Similarity NPC153885
0.8152 Intermediate Similarity NPC58872
0.8144 Intermediate Similarity NPC472879
0.8118 Intermediate Similarity NPC298023
0.8118 Intermediate Similarity NPC329318
0.8118 Intermediate Similarity NPC245966
0.8105 Intermediate Similarity NPC219573
0.8105 Intermediate Similarity NPC185208
0.8085 Intermediate Similarity NPC238219
0.8072 Intermediate Similarity NPC271437
0.8065 Intermediate Similarity NPC284475
0.8065 Intermediate Similarity NPC125226
0.8046 Intermediate Similarity NPC95868
0.8046 Intermediate Similarity NPC190567
0.8023 Intermediate Similarity NPC285470
0.8023 Intermediate Similarity NPC2785
0.8023 Intermediate Similarity NPC36342
0.8022 Intermediate Similarity NPC69057
0.8021 Intermediate Similarity NPC239185
0.8 Intermediate Similarity NPC260233
0.7979 Intermediate Similarity NPC1682
0.7979 Intermediate Similarity NPC188844
0.7955 Intermediate Similarity NPC145053
0.7941 Intermediate Similarity NPC470252
0.7938 Intermediate Similarity NPC134882
0.7931 Intermediate Similarity NPC139901
0.7931 Intermediate Similarity NPC300205
0.7931 Intermediate Similarity NPC151405
0.7843 Intermediate Similarity NPC203732
0.7841 Intermediate Similarity NPC164086
0.7841 Intermediate Similarity NPC157055
0.7835 Intermediate Similarity NPC265220
0.7822 Intermediate Similarity NPC134120
0.7778 Intermediate Similarity NPC109514
0.7778 Intermediate Similarity NPC476993
0.7755 Intermediate Similarity NPC75724
0.7738 Intermediate Similarity NPC326200
0.7714 Intermediate Similarity NPC79496
0.7711 Intermediate Similarity NPC235059
0.7711 Intermediate Similarity NPC16190
0.7711 Intermediate Similarity NPC169222
0.7701 Intermediate Similarity NPC9796
0.7667 Intermediate Similarity NPC230068
0.7629 Intermediate Similarity NPC172925
0.7619 Intermediate Similarity NPC167504
0.7596 Intermediate Similarity NPC318327
0.7528 Intermediate Similarity NPC272260
0.75 Intermediate Similarity NPC213570
0.75 Intermediate Similarity NPC246822
0.75 Intermediate Similarity NPC139416
0.7474 Intermediate Similarity NPC298115
0.7453 Intermediate Similarity NPC265513
0.7451 Intermediate Similarity NPC247976
0.7451 Intermediate Similarity NPC255676
0.7451 Intermediate Similarity NPC329556
0.7444 Intermediate Similarity NPC285716
0.7444 Intermediate Similarity NPC17408
0.7442 Intermediate Similarity NPC285679
0.7426 Intermediate Similarity NPC473325
0.7412 Intermediate Similarity NPC251490
0.7407 Intermediate Similarity NPC67377
0.7407 Intermediate Similarity NPC196673
0.7391 Intermediate Similarity NPC324624
0.7383 Intermediate Similarity NPC66208
0.7383 Intermediate Similarity NPC186128
0.7326 Intermediate Similarity NPC39799
0.7326 Intermediate Similarity NPC135433
0.7326 Intermediate Similarity NPC158028
0.7326 Intermediate Similarity NPC280135
0.7326 Intermediate Similarity NPC87099
0.7326 Intermediate Similarity NPC74458
0.7326 Intermediate Similarity NPC226999
0.7326 Intermediate Similarity NPC193578
0.7326 Intermediate Similarity NPC1008
0.7315 Intermediate Similarity NPC470253
0.7308 Intermediate Similarity NPC474910
0.7308 Intermediate Similarity NPC172483
0.7303 Intermediate Similarity NPC179726
0.729 Intermediate Similarity NPC210089
0.7282 Intermediate Similarity NPC471829
0.7282 Intermediate Similarity NPC472691
0.7282 Intermediate Similarity NPC474866
0.7282 Intermediate Similarity NPC475939
0.7282 Intermediate Similarity NPC274443
0.7255 Intermediate Similarity NPC112552
0.7255 Intermediate Similarity NPC42211
0.7253 Intermediate Similarity NPC477703
0.7241 Intermediate Similarity NPC1901
0.7238 Intermediate Similarity NPC100767
0.7234 Intermediate Similarity NPC123476
0.7232 Intermediate Similarity NPC318173
0.7229 Intermediate Similarity NPC291066
0.7222 Intermediate Similarity NPC103488
0.7222 Intermediate Similarity NPC280789
0.7216 Intermediate Similarity NPC67585
0.7216 Intermediate Similarity NPC110420
0.7216 Intermediate Similarity NPC303967
0.7212 Intermediate Similarity NPC329282
0.7212 Intermediate Similarity NPC249067
0.7209 Intermediate Similarity NPC72670
0.7204 Intermediate Similarity NPC149263
0.7184 Intermediate Similarity NPC222390
0.7184 Intermediate Similarity NPC244427
0.7182 Intermediate Similarity NPC215419
0.7172 Intermediate Similarity NPC261181
0.717 Intermediate Similarity NPC211439
0.7159 Intermediate Similarity NPC258492
0.7159 Intermediate Similarity NPC96835
0.7157 Intermediate Similarity NPC118343
0.7143 Intermediate Similarity NPC105899
0.713 Intermediate Similarity NPC137315
0.7129 Intermediate Similarity NPC226041
0.7129 Intermediate Similarity NPC156021
0.7115 Intermediate Similarity NPC60679
0.7113 Intermediate Similarity NPC9822
0.7113 Intermediate Similarity NPC231591
0.7108 Intermediate Similarity NPC113670
0.7093 Intermediate Similarity NPC98880
0.7091 Intermediate Similarity NPC326664
0.7079 Intermediate Similarity NPC307195
0.7075 Intermediate Similarity NPC472700
0.7075 Intermediate Similarity NPC83409
0.7075 Intermediate Similarity NPC472699
0.7075 Intermediate Similarity NPC185763
0.7059 Intermediate Similarity NPC229242
0.7043 Intermediate Similarity NPC144547
0.7043 Intermediate Similarity NPC216216
0.7041 Intermediate Similarity NPC26224
0.703 Intermediate Similarity NPC12695
0.7027 Intermediate Similarity NPC217111
0.7027 Intermediate Similarity NPC306740
0.7011 Intermediate Similarity NPC263385
0.7011 Intermediate Similarity NPC95289
0.701 Intermediate Similarity NPC473345
0.7009 Intermediate Similarity NPC472696
0.7009 Intermediate Similarity NPC472695
0.7009 Intermediate Similarity NPC112903
0.7009 Intermediate Similarity NPC472701
0.7009 Intermediate Similarity NPC472683
0.7009 Intermediate Similarity NPC470391
0.7 Intermediate Similarity NPC13784
0.7 Intermediate Similarity NPC93287
0.6991 Remote Similarity NPC228318
0.699 Remote Similarity NPC221825
0.6988 Remote Similarity NPC71009
0.6983 Remote Similarity NPC295034
0.6977 Remote Similarity NPC311343
0.6972 Remote Similarity NPC474057
0.697 Remote Similarity NPC187725
0.697 Remote Similarity NPC141607
0.6964 Remote Similarity NPC62138
0.6961 Remote Similarity NPC270654
0.6961 Remote Similarity NPC289201
0.6957 Remote Similarity NPC988
0.6957 Remote Similarity NPC289432
0.6952 Remote Similarity NPC89886
0.6944 Remote Similarity NPC265407
0.6944 Remote Similarity NPC192577
0.6944 Remote Similarity NPC83628
0.6939 Remote Similarity NPC199567
0.6937 Remote Similarity NPC471721
0.6937 Remote Similarity NPC241851
0.693 Remote Similarity NPC184527
0.6916 Remote Similarity NPC119271
0.6909 Remote Similarity NPC292834
0.6903 Remote Similarity NPC158157

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC325709 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
0.8588 High Similarity NPD942 Approved
0.8222 Intermediate Similarity NPD650 Approved
0.8172 Intermediate Similarity NPD1508 Approved
0.8065 Intermediate Similarity NPD7609 Phase 3
0.8046 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.8021 Intermediate Similarity NPD3495 Discontinued
0.7979 Intermediate Similarity NPD7631 Approved
0.7917 Intermediate Similarity NPD1843 Approved
0.7629 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD1930 Approved
0.7451 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD1929 Approved
0.7353 Intermediate Similarity NPD1932 Approved
0.729 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD1237 Approved
0.72 Intermediate Similarity NPD1989 Approved
0.7172 Intermediate Similarity NPD1202 Approved
0.7157 Intermediate Similarity NPD1238 Approved
0.7143 Intermediate Similarity NPD1239 Approved
0.7108 Intermediate Similarity NPD675 Discontinued
0.7027 Intermediate Similarity NPD5951 Approved
0.7 Intermediate Similarity NPD1563 Approved
0.6944 Remote Similarity NPD2329 Discontinued
0.6887 Remote Similarity NPD164 Approved
0.6848 Remote Similarity NPD225 Approved
0.6848 Remote Similarity NPD227 Approved
0.6842 Remote Similarity NPD3971 Phase 1
0.6827 Remote Similarity NPD2066 Phase 3
0.6818 Remote Similarity NPD2181 Clinical (unspecified phase)
0.681 Remote Similarity NPD5836 Discontinued
0.6804 Remote Similarity NPD9259 Approved
0.6804 Remote Similarity NPD9257 Approved
0.6796 Remote Similarity NPD1566 Phase 3
0.6796 Remote Similarity NPD1564 Approved
0.6796 Remote Similarity NPD1565 Approved
0.6789 Remote Similarity NPD2182 Approved
0.6789 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6774 Remote Similarity NPD9490 Approved
0.6765 Remote Similarity NPD4094 Approved
0.6735 Remote Similarity NPD1087 Approved
0.67 Remote Similarity NPD3672 Approved
0.67 Remote Similarity NPD3673 Approved
0.6698 Remote Similarity NPD2648 Phase 3
0.6698 Remote Similarity NPD2193 Phase 2
0.6698 Remote Similarity NPD813 Approved
0.6667 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9491 Approved
0.6667 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6635 Remote Similarity NPD1100 Approved
0.6635 Remote Similarity NPD1099 Approved
0.6635 Remote Similarity NPD4657 Approved
0.6635 Remote Similarity NPD4655 Approved
0.6632 Remote Similarity NPD226 Approved
0.6607 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6049 Phase 2
0.6577 Remote Similarity NPD664 Approved
0.6574 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6542 Remote Similarity NPD2196 Discontinued
0.6542 Remote Similarity NPD2171 Approved
0.6535 Remote Similarity NPD1089 Approved
0.6535 Remote Similarity NPD9256 Approved
0.6535 Remote Similarity NPD1086 Approved
0.6535 Remote Similarity NPD9258 Approved
0.6535 Remote Similarity NPD1090 Approved
0.6532 Remote Similarity NPD7008 Discontinued
0.6531 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6529 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6525 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6522 Remote Similarity NPD9716 Approved
0.6481 Remote Similarity NPD3357 Discontinued
0.6471 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4879 Approved
0.6436 Remote Similarity NPD800 Approved
0.6435 Remote Similarity NPD2508 Discontinued
0.6422 Remote Similarity NPD5909 Discontinued
0.641 Remote Similarity NPD6065 Approved
0.641 Remote Similarity NPD7610 Discontinued
0.6408 Remote Similarity NPD1088 Approved
0.6404 Remote Similarity NPD7094 Approved
0.6404 Remote Similarity NPD6858 Approved
0.64 Remote Similarity NPD5952 Clinical (unspecified phase)
0.64 Remote Similarity NPD4793 Discontinued
0.6389 Remote Similarity NPD6027 Approved
0.6389 Remote Similarity NPD6024 Approved
0.6387 Remote Similarity NPD2345 Approved
0.6364 Remote Similarity NPD2197 Approved
0.6364 Remote Similarity NPD2192 Approved
0.6364 Remote Similarity NPD1677 Discontinued
0.6356 Remote Similarity NPD7009 Phase 2
0.6355 Remote Similarity NPD7798 Approved
0.6333 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6311 Remote Similarity NPD3547 Approved
0.6311 Remote Similarity NPD3550 Clinical (unspecified phase)
0.6311 Remote Similarity NPD3549 Approved
0.6286 Remote Similarity NPD1693 Approved
0.6286 Remote Similarity NPD9260 Approved
0.6281 Remote Similarity NPD1201 Approved
0.6275 Remote Similarity NPD5346 Phase 2
0.6275 Remote Similarity NPD5347 Phase 2
0.6271 Remote Similarity NPD997 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5926 Approved
0.626 Remote Similarity NPD1876 Approved
0.6239 Remote Similarity NPD3317 Approved
0.6231 Remote Similarity NPD4705 Clinical (unspecified phase)
0.623 Remote Similarity NPD4878 Approved
0.6226 Remote Similarity NPD5206 Clinical (unspecified phase)
0.622 Remote Similarity NPD2846 Clinical (unspecified phase)
0.621 Remote Similarity NPD1470 Approved
0.621 Remote Similarity NPD1164 Approved
0.6186 Remote Similarity NPD3981 Approved
0.6186 Remote Similarity NPD3903 Approved
0.6186 Remote Similarity NPD3979 Approved
0.6186 Remote Similarity NPD3904 Approved
0.6182 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6168 Remote Similarity NPD2487 Clinical (unspecified phase)
0.6167 Remote Similarity NPD1651 Approved
0.616 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6148 Remote Similarity NPD1281 Approved
0.6148 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5630 Phase 1
0.614 Remote Similarity NPD3646 Clinical (unspecified phase)
0.614 Remote Similarity NPD1317 Discontinued
0.6111 Remote Similarity NPD466 Approved
0.6111 Remote Similarity NPD9495 Approved
0.61 Remote Similarity NPD4544 Approved
0.6098 Remote Similarity NPD3972 Approved
0.6091 Remote Similarity NPD4803 Discontinued
0.609 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6078 Remote Similarity NPD1282 Approved
0.6071 Remote Similarity NPD5048 Discontinued
0.6068 Remote Similarity NPD1175 Approved
0.6055 Remote Similarity NPD742 Approved
0.605 Remote Similarity NPD405 Clinical (unspecified phase)
0.6048 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6048 Remote Similarity NPD5157 Phase 1
0.6048 Remote Similarity NPD5159 Phase 2
0.6048 Remote Similarity NPD182 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6647 Phase 2
0.6033 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6032 Remote Similarity NPD4980 Approved
0.6017 Remote Similarity NPD1246 Approved
0.6016 Remote Similarity NPD6287 Discontinued
0.6 Remote Similarity NPD1283 Approved
0.6 Remote Similarity NPD1752 Approved
0.6 Remote Similarity NPD1574 Approved
0.6 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6 Remote Similarity NPD1756 Approved
0.6 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6 Remote Similarity NPD423 Phase 3
0.6 Remote Similarity NPD4635 Approved
0.5985 Remote Similarity NPD7541 Clinical (unspecified phase)
0.5978 Remote Similarity NPD1673 Approved
0.5968 Remote Similarity NPD3355 Approved
0.5968 Remote Similarity NPD3356 Approved
0.5963 Remote Similarity NPD253 Approved
0.5952 Remote Similarity NPD1593 Approved
0.5943 Remote Similarity NPD4405 Approved
0.5943 Remote Similarity NPD4408 Approved
0.5943 Remote Similarity NPD4407 Approved
0.5941 Remote Similarity NPD3429 Approved
0.5941 Remote Similarity NPD3427 Approved
0.5935 Remote Similarity NPD3836 Clinical (unspecified phase)
0.5935 Remote Similarity NPD3881 Discontinued
0.5932 Remote Similarity NPD1241 Discontinued
0.5929 Remote Similarity NPD1018 Approved
0.5926 Remote Similarity NPD2895 Discontinued
0.5926 Remote Similarity NPD3093 Approved
0.5923 Remote Similarity NPD1874 Clinical (unspecified phase)
0.5923 Remote Similarity NPD7961 Discontinued
0.592 Remote Similarity NPD1640 Clinical (unspecified phase)
0.5918 Remote Similarity NPD1475 Approved
0.5917 Remote Similarity NPD4576 Approved
0.5917 Remote Similarity NPD4574 Approved
0.5902 Remote Similarity NPD1245 Approved
0.5902 Remote Similarity NPD4196 Clinical (unspecified phase)
0.5896 Remote Similarity NPD5404 Approved
0.5896 Remote Similarity NPD5408 Approved
0.5896 Remote Similarity NPD5405 Approved
0.5896 Remote Similarity NPD5406 Approved
0.5893 Remote Similarity NPD9261 Approved
0.5891 Remote Similarity NPD2754 Discontinued
0.5889 Remote Similarity NPD173 Clinical (unspecified phase)
0.5888 Remote Similarity NPD4542 Approved
0.5888 Remote Similarity NPD4545 Approved
0.5887 Remote Similarity NPD5618 Discontinued
0.5887 Remote Similarity NPD518 Clinical (unspecified phase)
0.5882 Remote Similarity NPD2629 Approved
0.5882 Remote Similarity NPD4766 Approved
0.5882 Remote Similarity NPD2319 Discontinued
0.5882 Remote Similarity NPD3867 Phase 2
0.5878 Remote Similarity NPD3373 Approved
0.5868 Remote Similarity NPD5991 Approved
0.5868 Remote Similarity NPD5990 Approved
0.5868 Remote Similarity NPD2347 Approved
0.5862 Remote Similarity NPD4233 Approved
0.5862 Remote Similarity NPD4234 Approved
0.5862 Remote Similarity NPD2067 Discontinued
0.5859 Remote Similarity NPD914 Suspended

Structure

External Identifiers

PubChem CID   6195
ChEMBL   CHEMBL3265260
ZINC  

Physicochemical Properties

Molecular Weight:  156.06
ALogP:  -0.1924
MLogP:  2.56
XLogP:  4.956
# Rotatable Bonds:  1
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  12

Download Data

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