Natural Product: NPC471321

Natural Product ID:  NPC471321
Common Name:   (Z)-1-(Heptadec-8-En-1-Yl)-3-(3-Methoxybenzyl)Urea
IUPAC Name:   1-[(Z)-heptadec-8-enyl]-3-[(3-methoxyphenyl)methyl]urea
Synonyms:  
Molecular Formula:   C26H44N2O2
Standard InCHIKey:  YXRNUYWHOXNJPZ-KHPPLWFESA-N
Standard InCHI:  InChI=1S/C26H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-26(29)28-23-24-19-18-20-25(22-24)30-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H2,27,28,29)/b11-10-
Canonical SMILES:  CCCCCCCC/C=CCCCCCCCN=C(NCc1cccc(c1)OC)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
NPO18988 Lepidium meyenii Species Brassicaceae Eukaryota PMID[23891163]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1418 Individual Protein Anandamide amidohydrolase Homo sapiens Inhibition = 31.3 % 1955885
NPT1418 Individual Protein Anandamide amidohydrolase Homo sapiens Inhibition = 66 % 19926364

  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 NPC471321 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 NPC471306
0.8492 Intermediate Similarity NPC17388
0.8492 Intermediate Similarity NPC53596
0.8492 Intermediate Similarity NPC289330
0.8492 Intermediate Similarity NPC471308
0.8492 Intermediate Similarity NPC160120
0.8154 Intermediate Similarity NPC471315
0.8154 Intermediate Similarity NPC471314
0.8092 Intermediate Similarity NPC217277
0.7744 Intermediate Similarity NPC298486
0.7721 Intermediate Similarity NPC172403
0.7698 Intermediate Similarity NPC285078
0.7698 Intermediate Similarity NPC6854
0.7698 Intermediate Similarity NPC313737
0.7638 Intermediate Similarity NPC21890
0.7626 Intermediate Similarity NPC93882
0.7626 Intermediate Similarity NPC130595
0.76 Intermediate Similarity NPC186469
0.7589 Intermediate Similarity NPC237227
0.7584 Intermediate Similarity NPC13397
0.7581 Intermediate Similarity NPC42383
0.7571 Intermediate Similarity NPC160692
0.7554 Intermediate Similarity NPC255550
0.7554 Intermediate Similarity NPC308885
0.7519 Intermediate Similarity NPC321133
0.7518 Intermediate Similarity NPC218530
0.75 Intermediate Similarity NPC166837
0.7483 Intermediate Similarity NPC253429
0.7444 Intermediate Similarity NPC43275
0.7424 Intermediate Similarity NPC120075
0.7407 Intermediate Similarity NPC211992
0.7402 Intermediate Similarity NPC97811
0.74 Intermediate Similarity NPC207824
0.74 Intermediate Similarity NPC60538
0.7391 Intermediate Similarity NPC301713
0.7388 Intermediate Similarity NPC263835
0.7361 Intermediate Similarity NPC471316
0.7357 Intermediate Similarity NPC160193
0.7355 Intermediate Similarity NPC471320
0.7355 Intermediate Similarity NPC471319
0.7338 Intermediate Similarity NPC153990
0.7338 Intermediate Similarity NPC251571
0.7303 Intermediate Similarity NPC76213
0.7303 Intermediate Similarity NPC277669
0.7299 Intermediate Similarity NPC140359
0.7299 Intermediate Similarity NPC13020
0.7297 Intermediate Similarity NPC294249
0.7286 Intermediate Similarity NPC155838
0.7266 Intermediate Similarity NPC146530
0.7252 Intermediate Similarity NPC26524
0.7236 Intermediate Similarity NPC470161
0.7234 Intermediate Similarity NPC35961
0.7234 Intermediate Similarity NPC262641
0.7234 Intermediate Similarity NPC195749
0.7234 Intermediate Similarity NPC52029
0.7211 Intermediate Similarity NPC323204
0.7208 Intermediate Similarity NPC477564
0.7208 Intermediate Similarity NPC2295
0.7194 Intermediate Similarity NPC318965
0.7183 Intermediate Similarity NPC114102
0.7174 Intermediate Similarity NPC211218
0.7174 Intermediate Similarity NPC328267
0.7172 Intermediate Similarity NPC301050
0.7172 Intermediate Similarity NPC131204
0.7164 Intermediate Similarity NPC137096
0.7164 Intermediate Similarity NPC323948
0.7143 Intermediate Similarity NPC218323
0.7143 Intermediate Similarity NPC303370
0.7143 Intermediate Similarity NPC314682
0.7133 Intermediate Similarity NPC185838
0.7133 Intermediate Similarity NPC214869
0.7122 Intermediate Similarity NPC62101
0.7122 Intermediate Similarity NPC95733
0.7095 Intermediate Similarity NPC213206
0.7095 Intermediate Similarity NPC474915
0.7095 Intermediate Similarity NPC328750
0.7095 Intermediate Similarity NPC188163
0.7092 Intermediate Similarity NPC291449
0.7092 Intermediate Similarity NPC186898
0.7092 Intermediate Similarity NPC41331
0.7081 Intermediate Similarity NPC85482
0.7077 Intermediate Similarity NPC172046
0.7071 Intermediate Similarity NPC141739
0.7071 Intermediate Similarity NPC29477
0.7071 Intermediate Similarity NPC320242
0.7071 Intermediate Similarity NPC136112
0.7054 Intermediate Similarity NPC142297
0.7051 Intermediate Similarity NPC80129
0.7051 Intermediate Similarity NPC187022
0.7039 Intermediate Similarity NPC476151
0.7039 Intermediate Similarity NPC191376
0.7039 Intermediate Similarity NPC179825
0.7039 Intermediate Similarity NPC321505
0.7021 Intermediate Similarity NPC251466
0.7021 Intermediate Similarity NPC156944
0.7014 Intermediate Similarity NPC247018
0.7014 Intermediate Similarity NPC97870
0.7014 Intermediate Similarity NPC307123
0.7014 Intermediate Similarity NPC118419
0.7008 Intermediate Similarity NPC68055
0.7007 Intermediate Similarity NPC318591
0.7007 Intermediate Similarity NPC470470
0.7007 Intermediate Similarity NPC193528
0.7007 Intermediate Similarity NPC231163
0.7007 Intermediate Similarity NPC41801
0.7006 Intermediate Similarity NPC160931
0.7006 Intermediate Similarity NPC29647
0.7006 Intermediate Similarity NPC37205
0.7 Intermediate Similarity NPC105513
0.6993 Remote Similarity NPC476571
0.6993 Remote Similarity NPC428
0.6993 Remote Similarity NPC135538
0.6993 Remote Similarity NPC246587
0.6993 Remote Similarity NPC147390
0.6993 Remote Similarity NPC24233
0.6986 Remote Similarity NPC470471
0.6985 Remote Similarity NPC85276
0.6977 Remote Similarity NPC231705
0.6972 Remote Similarity NPC99798
0.6972 Remote Similarity NPC157740
0.6972 Remote Similarity NPC191302
0.6966 Remote Similarity NPC266425
0.6966 Remote Similarity NPC267237
0.6963 Remote Similarity NPC258992
0.6962 Remote Similarity NPC79328
0.6957 Remote Similarity NPC284183
0.6957 Remote Similarity NPC4138
0.6957 Remote Similarity NPC121275
0.695 Remote Similarity NPC152186
0.695 Remote Similarity NPC246133
0.695 Remote Similarity NPC170583
0.695 Remote Similarity NPC182147
0.695 Remote Similarity NPC207541
0.695 Remote Similarity NPC71105
0.6948 Remote Similarity NPC477565
0.6948 Remote Similarity NPC103379
0.6947 Remote Similarity NPC258056
0.6944 Remote Similarity NPC329595
0.6944 Remote Similarity NPC326599
0.6939 Remote Similarity NPC167944
0.6939 Remote Similarity NPC7018
0.6939 Remote Similarity NPC42793
0.6939 Remote Similarity NPC231884
0.6934 Remote Similarity NPC256369
0.6934 Remote Similarity NPC283760
0.6933 Remote Similarity NPC100478
0.6933 Remote Similarity NPC222039
0.6923 Remote Similarity NPC246974
0.6923 Remote Similarity NPC147247
0.6923 Remote Similarity NPC233320
0.6923 Remote Similarity NPC275027
0.6913 Remote Similarity NPC168861
0.6913 Remote Similarity NPC212850
0.6913 Remote Similarity NPC189724
0.6913 Remote Similarity NPC83289
0.6908 Remote Similarity NPC130926
0.6903 Remote Similarity NPC274026
0.6899 Remote Similarity NPC203784
0.6899 Remote Similarity NPC126519
0.6899 Remote Similarity NPC170503
0.6897 Remote Similarity NPC274732
0.6894 Remote Similarity NPC474149
0.6894 Remote Similarity NPC293871
0.6894 Remote Similarity NPC475393
0.6894 Remote Similarity NPC124433
0.6892 Remote Similarity NPC204848
0.6892 Remote Similarity NPC312770
0.6892 Remote Similarity NPC160607
0.6892 Remote Similarity NPC41473
0.6892 Remote Similarity NPC214988
0.6892 Remote Similarity NPC14600
0.689 Remote Similarity NPC109925
0.6889 Remote Similarity NPC213
0.6889 Remote Similarity NPC10286
0.6887 Remote Similarity NPC476567
0.6887 Remote Similarity NPC128019
0.6887 Remote Similarity NPC136860
0.6883 Remote Similarity NPC76412
0.6879 Remote Similarity NPC300955
0.6879 Remote Similarity NPC292003
0.6875 Remote Similarity NPC470706
0.6875 Remote Similarity NPC178902
0.6871 Remote Similarity NPC11147
0.687 Remote Similarity NPC75440
0.687 Remote Similarity NPC309982
0.6867 Remote Similarity NPC470925
0.6867 Remote Similarity NPC204546
0.6855 Remote Similarity NPC108339
0.6853 Remote Similarity NPC291847
0.685 Remote Similarity NPC289381
0.685 Remote Similarity NPC155847
0.685 Remote Similarity NPC29601
0.6848 Remote Similarity NPC475215
0.6848 Remote Similarity NPC108434
0.6846 Remote Similarity NPC299583
0.6846 Remote Similarity NPC296898
0.6846 Remote Similarity NPC231572
0.6835 Remote Similarity NPC83279
0.6835 Remote Similarity NPC318357
0.6832 Remote Similarity NPC247251

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471321 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
0.9015 High Similarity NPD3156 Discontinued
0.8074 Intermediate Similarity NPD1039 Discontinued
0.8069 Intermediate Similarity NPD5267 Discontinued
0.8058 Intermediate Similarity NPD3175 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD5720 Discontinued
0.7874 Intermediate Similarity NPD595 Approved
0.7874 Intermediate Similarity NPD593 Approved
0.7862 Intermediate Similarity NPD1771 Clinical (unspecified phase)
0.782 Intermediate Similarity NPD1420 Approved
0.782 Intermediate Similarity NPD1421 Approved
0.7817 Intermediate Similarity NPD7153 Discontinued
0.7762 Intermediate Similarity NPD44 Approved
0.7762 Intermediate Similarity NPD6364 Approved
0.7721 Intermediate Similarity NPD2407 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD3679 Phase 2
0.7714 Intermediate Similarity NPD2989 Phase 2
0.7714 Intermediate Similarity NPD2986 Phase 2
0.7626 Intermediate Similarity NPD839 Approved
0.7626 Intermediate Similarity NPD840 Approved
0.7626 Intermediate Similarity NPD2674 Phase 3
0.7622 Intermediate Similarity NPD3656 Approved
0.7606 Intermediate Similarity NPD3693 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3977 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1044 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD3144 Approved
0.7554 Intermediate Similarity NPD3145 Approved
0.7519 Intermediate Similarity NPD2667 Approved
0.7519 Intermediate Similarity NPD2668 Approved
0.75 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2245 Discovery
0.7481 Intermediate Similarity NPD2232 Approved
0.7481 Intermediate Similarity NPD2230 Approved
0.7481 Intermediate Similarity NPD2233 Approved
0.7464 Intermediate Similarity NPD455 Discontinued
0.7444 Intermediate Similarity NPD2594 Approved
0.7444 Intermediate Similarity NPD2595 Approved
0.7444 Intermediate Similarity NPD3049 Approved
0.7426 Intermediate Similarity NPD1669 Approved
0.7426 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD2458 Approved
0.7397 Intermediate Similarity NPD2460 Phase 3
0.7397 Intermediate Similarity NPD2459 Approved
0.7391 Intermediate Similarity NPD7905 Discontinued
0.7388 Intermediate Similarity NPD2556 Approved
0.7388 Intermediate Similarity NPD2554 Approved
0.7383 Intermediate Similarity NPD6419 Discontinued
0.7365 Intermediate Similarity NPD2120 Phase 2
0.7361 Intermediate Similarity NPD2661 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD2231 Phase 2
0.7353 Intermediate Similarity NPD2235 Phase 2
0.7338 Intermediate Similarity NPD6737 Phase 2
0.7338 Intermediate Similarity NPD6738 Phase 2
0.7305 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD596 Approved
0.7286 Intermediate Similarity NPD600 Approved
0.7261 Intermediate Similarity NPD2190 Approved
0.7254 Intermediate Similarity NPD7477 Discontinued
0.7254 Intermediate Similarity NPD4474 Approved
0.7254 Intermediate Similarity NPD4475 Approved
0.7241 Intermediate Similarity NPD7425 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6380 Phase 1
0.7234 Intermediate Similarity NPD1024 Discontinued
0.7211 Intermediate Similarity NPD1391 Approved
0.7211 Intermediate Similarity NPD7045 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD4255 Phase 1
0.72 Intermediate Similarity NPD6087 Phase 1
0.7194 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD5718 Phase 2
0.7174 Intermediate Similarity NPD2429 Approved
0.7174 Intermediate Similarity NPD4129 Approved
0.7174 Intermediate Similarity NPD2428 Approved
0.7171 Intermediate Similarity NPD6030 Approved
0.7171 Intermediate Similarity NPD6031 Approved
0.7164 Intermediate Similarity NPD9615 Approved
0.7164 Intermediate Similarity NPD9616 Approved
0.7164 Intermediate Similarity NPD9613 Approved
0.7163 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD3060 Approved
0.7162 Intermediate Similarity NPD4162 Approved
0.7152 Intermediate Similarity NPD1424 Approved
0.7152 Intermediate Similarity NPD2874 Phase 2
0.7143 Intermediate Similarity NPD558 Phase 2
0.7143 Intermediate Similarity NPD1035 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD1662 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5163 Phase 2
0.7111 Intermediate Similarity NPD2486 Discontinued
0.7111 Intermediate Similarity NPD316 Approved
0.7105 Intermediate Similarity NPD1351 Approved
0.7105 Intermediate Similarity NPD1349 Approved
0.7105 Intermediate Similarity NPD1350 Approved
0.7103 Intermediate Similarity NPD3052 Approved
0.7103 Intermediate Similarity NPD3054 Approved
0.7103 Intermediate Similarity NPD2653 Approved
0.7095 Intermediate Similarity NPD3655 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD1712 Approved
0.7092 Intermediate Similarity NPD2040 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7598 Phase 2
0.7081 Intermediate Similarity NPD4083 Discontinued
0.708 Intermediate Similarity NPD3294 Phase 2
0.7071 Intermediate Similarity NPD1818 Approved
0.7071 Intermediate Similarity NPD1794 Approved
0.7071 Intermediate Similarity NPD1819 Approved
0.7071 Intermediate Similarity NPD3567 Approved
0.7071 Intermediate Similarity NPD3568 Approved
0.7071 Intermediate Similarity NPD1817 Approved
0.7071 Intermediate Similarity NPD1820 Approved
0.707 Intermediate Similarity NPD5967 Approved
0.7067 Intermediate Similarity NPD3692 Discontinued
0.7067 Intermediate Similarity NPD5160 Discontinued
0.7063 Intermediate Similarity NPD6379 Discontinued
0.7059 Intermediate Similarity NPD5976 Discontinued
0.7051 Intermediate Similarity NPD7298 Approved
0.7021 Intermediate Similarity NPD2990 Approved
0.7021 Intermediate Similarity NPD2987 Approved
0.7015 Intermediate Similarity NPD709 Approved
0.7014 Intermediate Similarity NPD1423 Approved
0.7013 Intermediate Similarity NPD950 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2155 Approved
0.7007 Intermediate Similarity NPD2156 Approved
0.7007 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2154 Approved
0.7 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5310 Approved
0.7 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5311 Approved
0.6993 Remote Similarity NPD3164 Approved
0.6993 Remote Similarity NPD3166 Approved
0.6993 Remote Similarity NPD3165 Approved
0.6993 Remote Similarity NPD6090 Discontinued
0.6993 Remote Similarity NPD3167 Approved
0.6977 Remote Similarity NPD1445 Approved
0.6977 Remote Similarity NPD1444 Approved
0.6966 Remote Similarity NPD2238 Phase 2
0.6962 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6962 Remote Similarity NPD3557 Approved
0.6962 Remote Similarity NPD3560 Approved
0.6962 Remote Similarity NPD3558 Approved
0.6962 Remote Similarity NPD3556 Approved
0.6959 Remote Similarity NPD2161 Phase 2
0.6939 Remote Similarity NPD696 Discontinued
0.6939 Remote Similarity NPD6895 Approved
0.6939 Remote Similarity NPD6896 Approved
0.6937 Remote Similarity NPD4796 Discontinued
0.6934 Remote Similarity NPD6382 Discontinued
0.6928 Remote Similarity NPD3157 Approved
0.6928 Remote Similarity NPD2504 Approved
0.6928 Remote Similarity NPD4123 Phase 3
0.6928 Remote Similarity NPD3158 Phase 1
0.6928 Remote Similarity NPD2505 Approved
0.6923 Remote Similarity NPD5373 Approved
0.6923 Remote Similarity NPD5374 Approved
0.6918 Remote Similarity NPD654 Phase 3
0.6914 Remote Similarity NPD6747 Phase 1
0.6913 Remote Similarity NPD6809 Clinical (unspecified phase)
0.6912 Remote Similarity NPD856 Approved
0.6912 Remote Similarity NPD16 Approved
0.6909 Remote Similarity NPD5560 Clinical (unspecified phase)
0.6908 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6901 Remote Similarity NPD6584 Phase 3
0.6897 Remote Similarity NPD3530 Approved
0.6897 Remote Similarity NPD3163 Approved
0.6897 Remote Similarity NPD3531 Approved
0.6897 Remote Similarity NPD5745 Approved
0.6897 Remote Similarity NPD3532 Approved
0.6897 Remote Similarity NPD3162 Approved
0.6883 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6883 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7526 Approved
0.6883 Remote Similarity NPD52 Approved
0.6879 Remote Similarity NPD2922 Phase 1
0.6875 Remote Similarity NPD3180 Approved
0.6875 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3179 Approved
0.6875 Remote Similarity NPD5604 Discontinued
0.6871 Remote Similarity NPD2157 Approved
0.6871 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4149 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4597 Approved
0.6867 Remote Similarity NPD4598 Approved
0.6863 Remote Similarity NPD3124 Discontinued
0.6859 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6849 Remote Similarity NPD3597 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1983 Approved
0.6835 Remote Similarity NPD1769 Discontinued
0.6835 Remote Similarity NPD1980 Approved
0.6835 Remote Similarity NPD2688 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1981 Approved
0.6831 Remote Similarity NPD3055 Approved
0.6831 Remote Similarity NPD3053 Approved
0.6828 Remote Similarity NPD1336 Approved
0.6824 Remote Similarity NPD6967 Phase 2
0.6821 Remote Similarity NPD5177 Phase 3
0.6818 Remote Similarity NPD681 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1792 Phase 2
0.6818 Remote Similarity NPD4584 Approved
0.6815 Remote Similarity NPD9618 Approved
0.6815 Remote Similarity NPD1009 Approved
0.6815 Remote Similarity NPD9614 Approved

Structure

External Identifiers

PubChem CID   71770551
ChEMBL   CHEMBL2413179
ZINC  

Physicochemical Properties

Molecular Weight:  416.34
ALogP:  -2.465
MLogP:  3.88
XLogP:  10.092
# Rotatable Bonds:  22
Polar Surface Area:  53.85
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  30

Download Data

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Structure MOL file  
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Biological Activities  
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