Natural Product: NPC313673

Natural Product ID:  NPC313673
Common Name:   n.a.
IUPAC Name:  
Synonyms:   WAY-163909
Molecular Formula:   C14H18N2
Standard InCHIKey:  XOSKJKGKWRIMGV-DGCLKSJQSA-N
Standard InCHI:  InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1
Canonical SMILES:  C1C[C@@H]2[C@H](C1)c1c3N2CCNCc3ccc1
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
NPO28928 Piper nigrum Species Piperaceae Eukaryota TCMID*
NPO26237 Piper longum Species Piperaceae Eukaryota TCMID*
NPO7513 Cannabis sativa Species Cannabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens EC50 = 8 nM 24491146
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 10 nM 24491146
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens EC50 = 8 nM 25633969

  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 NPC313673 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
0.8115 Intermediate Similarity NPC475915
0.7388 Intermediate Similarity NPC316104
0.7388 Intermediate Similarity NPC162417
0.7328 Intermediate Similarity NPC145754
0.7119 Intermediate Similarity NPC291610
0.7092 Intermediate Similarity NPC63157
0.7092 Intermediate Similarity NPC473868
0.6978 Remote Similarity NPC218268
0.6966 Remote Similarity NPC21605
0.6953 Remote Similarity NPC192209
0.6944 Remote Similarity NPC264589
0.6923 Remote Similarity NPC311330
0.6911 Remote Similarity NPC302790
0.6899 Remote Similarity NPC264580
0.6866 Remote Similarity NPC252794
0.6857 Remote Similarity NPC325252
0.6849 Remote Similarity NPC109787
0.6831 Remote Similarity NPC88097
0.6829 Remote Similarity NPC79618
0.6815 Remote Similarity NPC476950
0.6814 Remote Similarity NPC111233
0.6786 Remote Similarity NPC198988
0.6774 Remote Similarity NPC164802
0.6761 Remote Similarity NPC130251
0.6757 Remote Similarity NPC169016
0.6757 Remote Similarity NPC206592
0.6752 Remote Similarity NPC329430
0.6733 Remote Similarity NPC476297
0.6713 Remote Similarity NPC301760
0.6692 Remote Similarity NPC313449
0.6667 Remote Similarity NPC119677
0.6667 Remote Similarity NPC59084
0.6667 Remote Similarity NPC134825
0.6667 Remote Similarity NPC316582
0.6645 Remote Similarity NPC222029
0.6644 Remote Similarity NPC475763
0.6641 Remote Similarity NPC296163
0.6641 Remote Similarity NPC187036
0.6637 Remote Similarity NPC258046
0.6599 Remote Similarity NPC204141
0.6597 Remote Similarity NPC73767
0.6597 Remote Similarity NPC110126
0.6597 Remote Similarity NPC471164
0.6579 Remote Similarity NPC262295
0.6573 Remote Similarity NPC105127
0.656 Remote Similarity NPC434
0.6552 Remote Similarity NPC191444
0.6552 Remote Similarity NPC115611
0.6532 Remote Similarity NPC313362
0.6525 Remote Similarity NPC469330
0.6522 Remote Similarity NPC30445
0.6515 Remote Similarity NPC228515
0.6514 Remote Similarity NPC12857
0.6503 Remote Similarity NPC96102
0.65 Remote Similarity NPC22079
0.65 Remote Similarity NPC475428
0.6494 Remote Similarity NPC475990
0.6494 Remote Similarity NPC474880
0.6494 Remote Similarity NPC221786
0.6486 Remote Similarity NPC231986
0.6483 Remote Similarity NPC22082
0.6483 Remote Similarity NPC186284
0.6475 Remote Similarity NPC473762
0.6466 Remote Similarity NPC176858
0.6458 Remote Similarity NPC84911
0.6454 Remote Similarity NPC475450
0.6452 Remote Similarity NPC68650
0.6449 Remote Similarity NPC478079
0.6441 Remote Similarity NPC108800
0.6438 Remote Similarity NPC469761
0.6438 Remote Similarity NPC469768
0.6438 Remote Similarity NPC469783
0.6438 Remote Similarity NPC469779
0.6438 Remote Similarity NPC2949
0.6438 Remote Similarity NPC469780
0.6438 Remote Similarity NPC469784
0.6438 Remote Similarity NPC469767
0.6434 Remote Similarity NPC471123
0.6429 Remote Similarity NPC473587
0.6424 Remote Similarity NPC33421
0.6423 Remote Similarity NPC27740
0.6422 Remote Similarity NPC325662
0.6422 Remote Similarity NPC98269
0.6412 Remote Similarity NPC288232
0.6405 Remote Similarity NPC476219
0.6404 Remote Similarity NPC229477
0.64 Remote Similarity NPC474695
0.6395 Remote Similarity NPC469766
0.6395 Remote Similarity NPC469537
0.6389 Remote Similarity NPC29886
0.6389 Remote Similarity NPC261195
0.6387 Remote Similarity NPC276085
0.6385 Remote Similarity NPC314141
0.6376 Remote Similarity NPC469735
0.6376 Remote Similarity NPC470440
0.6357 Remote Similarity NPC9856
0.6356 Remote Similarity NPC470926
0.6346 Remote Similarity NPC472102
0.6346 Remote Similarity NPC248117
0.6346 Remote Similarity NPC309531
0.6346 Remote Similarity NPC229173
0.634 Remote Similarity NPC478076
0.6338 Remote Similarity NPC179365
0.6333 Remote Similarity NPC212799
0.6333 Remote Similarity NPC469740
0.6331 Remote Similarity NPC250361
0.633 Remote Similarity NPC271642
0.633 Remote Similarity NPC139658
0.6327 Remote Similarity NPC279081
0.6323 Remote Similarity NPC61013
0.6323 Remote Similarity NPC123241
0.6319 Remote Similarity NPC267508
0.6316 Remote Similarity NPC66936
0.6316 Remote Similarity NPC53947
0.6306 Remote Similarity NPC85651
0.6306 Remote Similarity NPC286871
0.6306 Remote Similarity NPC99632
0.6306 Remote Similarity NPC282339
0.6294 Remote Similarity NPC473930
0.6291 Remote Similarity NPC469811
0.629 Remote Similarity NPC239854
0.6288 Remote Similarity NPC101139
0.6286 Remote Similarity NPC209389
0.6282 Remote Similarity NPC193410
0.6282 Remote Similarity NPC318065
0.6282 Remote Similarity NPC36495
0.6282 Remote Similarity NPC206819
0.6282 Remote Similarity NPC56765
0.6277 Remote Similarity NPC41174
0.6268 Remote Similarity NPC476687
0.6268 Remote Similarity NPC476685
0.6268 Remote Similarity NPC476689
0.6267 Remote Similarity NPC314372
0.625 Remote Similarity NPC321911
0.6242 Remote Similarity NPC474058
0.6242 Remote Similarity NPC20144
0.6242 Remote Similarity NPC472103
0.6242 Remote Similarity NPC190296
0.624 Remote Similarity NPC474430
0.6239 Remote Similarity NPC98976
0.6233 Remote Similarity NPC125746
0.6228 Remote Similarity NPC104070
0.6225 Remote Similarity NPC63545
0.6225 Remote Similarity NPC288838
0.6224 Remote Similarity NPC82295
0.6216 Remote Similarity NPC230002
0.6211 Remote Similarity NPC474897
0.6211 Remote Similarity NPC472118
0.6209 Remote Similarity NPC40070
0.6203 Remote Similarity NPC293458
0.6203 Remote Similarity NPC469741
0.6196 Remote Similarity NPC329688
0.6196 Remote Similarity NPC189812
0.6196 Remote Similarity NPC475097
0.6194 Remote Similarity NPC476566
0.619 Remote Similarity NPC469974
0.6188 Remote Similarity NPC279527
0.6188 Remote Similarity NPC214960
0.6186 Remote Similarity NPC173991
0.6184 Remote Similarity NPC179787
0.6184 Remote Similarity NPC201380
0.6179 Remote Similarity NPC317642
0.6178 Remote Similarity NPC41257
0.6176 Remote Similarity NPC279385
0.6176 Remote Similarity NPC179605
0.6174 Remote Similarity NPC476454
0.6164 Remote Similarity NPC90723
0.6164 Remote Similarity NPC21174
0.6164 Remote Similarity NPC271797
0.6159 Remote Similarity NPC254698
0.6159 Remote Similarity NPC159856
0.6147 Remote Similarity NPC112609
0.6147 Remote Similarity NPC113000
0.6147 Remote Similarity NPC122327
0.6144 Remote Similarity NPC473329
0.6144 Remote Similarity NPC187951
0.6144 Remote Similarity NPC2272
0.6144 Remote Similarity NPC318086
0.6143 Remote Similarity NPC146373
0.6143 Remote Similarity NPC245244
0.6143 Remote Similarity NPC166424
0.6131 Remote Similarity NPC103292
0.6129 Remote Similarity NPC325903
0.6129 Remote Similarity NPC200214
0.6126 Remote Similarity NPC290638
0.6122 Remote Similarity NPC150259
0.6122 Remote Similarity NPC469560
0.6118 Remote Similarity NPC143872
0.6116 Remote Similarity NPC7067
0.6116 Remote Similarity NPC322040
0.6115 Remote Similarity NPC469428
0.6115 Remote Similarity NPC216643
0.6115 Remote Similarity NPC286427
0.6107 Remote Similarity NPC284635
0.6104 Remote Similarity NPC154602
0.6104 Remote Similarity NPC105818
0.6104 Remote Similarity NPC24678
0.6104 Remote Similarity NPC243756
0.6103 Remote Similarity NPC177684
0.6103 Remote Similarity NPC291962

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC313673 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
0.9196 High Similarity NPD1723 Phase 2
0.9196 High Similarity NPD1720 Phase 2
0.819 Intermediate Similarity NPD3001 Approved
0.819 Intermediate Similarity NPD2999 Approved
0.8087 Intermediate Similarity NPD1721 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD1950 Approved
0.7937 Intermediate Similarity NPD1949 Approved
0.7857 Intermediate Similarity NPD2143 Discontinued
0.7845 Intermediate Similarity NPD4114 Approved
0.7845 Intermediate Similarity NPD4115 Approved
0.7759 Intermediate Similarity NPD3546 Approved
0.7759 Intermediate Similarity NPD3545 Approved
0.775 Intermediate Similarity NPD2913 Approved
0.775 Intermediate Similarity NPD2914 Approved
0.7686 Intermediate Similarity NPD1813 Discontinued
0.7395 Intermediate Similarity NPD5253 Approved
0.7295 Intermediate Similarity NPD2039 Approved
0.7295 Intermediate Similarity NPD2038 Approved
0.7273 Intermediate Similarity NPD3548 Approved
0.7273 Intermediate Similarity NPD4116 Approved
0.7258 Intermediate Similarity NPD5629 Discontinued
0.7154 Intermediate Similarity NPD3623 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD3622 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2464 Approved
0.7143 Intermediate Similarity NPD2463 Approved
0.7143 Intermediate Similarity NPD2467 Approved
0.713 Intermediate Similarity NPD1738 Approved
0.7121 Intermediate Similarity NPD6900 Discontinued
0.7107 Intermediate Similarity NPD2243 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD990 Approved
0.7025 Intermediate Similarity NPD993 Approved
0.7008 Intermediate Similarity NPD6070 Approved
0.7008 Intermediate Similarity NPD6069 Approved
0.7 Intermediate Similarity NPD9505 Clinical (unspecified phase)
0.6992 Remote Similarity NPD7633 Discontinued
0.6978 Remote Similarity NPD4410 Clinical (unspecified phase)
0.6978 Remote Similarity NPD4411 Phase 1
0.6977 Remote Similarity NPD3499 Approved
0.6977 Remote Similarity NPD3498 Approved
0.6975 Remote Similarity NPD4735 Approved
0.6975 Remote Similarity NPD4734 Approved
0.697 Remote Similarity NPD2938 Approved
0.697 Remote Similarity NPD2940 Approved
0.6963 Remote Similarity NPD3424 Clinical (unspecified phase)
0.6957 Remote Similarity NPD736 Approved
0.6957 Remote Similarity NPD735 Approved
0.6942 Remote Similarity NPD564 Approved
0.6942 Remote Similarity NPD563 Approved
0.693 Remote Similarity NPD7160 Approved
0.6923 Remote Similarity NPD4637 Clinical (unspecified phase)
0.6897 Remote Similarity NPD1683 Approved
0.6897 Remote Similarity NPD5554 Approved
0.6855 Remote Similarity NPD1107 Approved
0.6855 Remote Similarity NPD1108 Approved
0.6833 Remote Similarity NPD1419 Approved
0.6833 Remote Similarity NPD1417 Approved
0.6822 Remote Similarity NPD299 Phase 3
0.6807 Remote Similarity NPD1946 Clinical (unspecified phase)
0.6797 Remote Similarity NPD2622 Approved
0.6777 Remote Similarity NPD2244 Clinical (unspecified phase)
0.6774 Remote Similarity NPD2678 Approved
0.6774 Remote Similarity NPD477 Phase 1
0.6774 Remote Similarity NPD2679 Approved
0.6769 Remote Similarity NPD5657 Phase 3
0.6765 Remote Similarity NPD3008 Approved
0.6765 Remote Similarity NPD3012 Approved
0.6765 Remote Similarity NPD3011 Approved
0.6748 Remote Similarity NPD1064 Approved
0.6748 Remote Similarity NPD1065 Approved
0.6738 Remote Similarity NPD6342 Discontinued
0.6726 Remote Similarity NPD780 Approved
0.6726 Remote Similarity NPD783 Approved
0.6726 Remote Similarity NPD781 Approved
0.6726 Remote Similarity NPD782 Approved
0.6718 Remote Similarity NPD1306 Clinical (unspecified phase)
0.6692 Remote Similarity NPD7481 Approved
0.6692 Remote Similarity NPD7480 Approved
0.6692 Remote Similarity NPD153 Clinical (unspecified phase)
0.6667 Remote Similarity NPD787 Suspended
0.6641 Remote Similarity NPD1668 Clinical (unspecified phase)
0.6641 Remote Similarity NPD5179 Approved
0.6641 Remote Similarity NPD5180 Approved
0.6641 Remote Similarity NPD5181 Approved
0.6638 Remote Similarity NPD2997 Approved
0.6638 Remote Similarity NPD2998 Approved
0.6638 Remote Similarity NPD3000 Approved
0.6621 Remote Similarity NPD5024 Approved
0.6615 Remote Similarity NPD1344 Phase 2
0.6612 Remote Similarity NPD1916 Discontinued
0.6609 Remote Similarity NPD771 Phase 3
0.6607 Remote Similarity NPD785 Approved
0.6597 Remote Similarity NPD786 Approved
0.6594 Remote Similarity NPD8263 Discontinued
0.6594 Remote Similarity NPD4019 Clinical (unspecified phase)
0.6587 Remote Similarity NPD1539 Approved
0.6585 Remote Similarity NPD4936 Approved
0.6585 Remote Similarity NPD4937 Approved
0.6579 Remote Similarity NPD4145 Approved
0.6579 Remote Similarity NPD4146 Approved
0.6579 Remote Similarity NPD2580 Discontinued
0.6562 Remote Similarity NPD1764 Approved
0.6562 Remote Similarity NPD1762 Approved
0.656 Remote Similarity NPD6300 Approved
0.656 Remote Similarity NPD6299 Approved
0.6555 Remote Similarity NPD2005 Discontinued
0.6552 Remote Similarity NPD5915 Approved
0.6552 Remote Similarity NPD6768 Approved
0.6547 Remote Similarity NPD3654 Approved
0.6532 Remote Similarity NPD233 Clinical (unspecified phase)
0.6531 Remote Similarity NPD5254 Discontinued
0.6525 Remote Similarity NPD6549 Approved
0.6525 Remote Similarity NPD6548 Approved
0.6522 Remote Similarity NPD7582 Discontinued
0.6519 Remote Similarity NPD7461 Approved
0.6518 Remote Similarity NPD831 Approved
0.6518 Remote Similarity NPD830 Approved
0.6514 Remote Similarity NPD293 Approved
0.6514 Remote Similarity NPD295 Approved
0.6514 Remote Similarity NPD296 Approved
0.6512 Remote Similarity NPD3149 Approved
0.6512 Remote Similarity NPD3147 Approved
0.6512 Remote Similarity NPD2659 Approved
0.6512 Remote Similarity NPD1377 Approved
0.6512 Remote Similarity NPD3148 Approved
0.6512 Remote Similarity NPD3150 Approved
0.6512 Remote Similarity NPD1378 Approved
0.6512 Remote Similarity NPD2658 Approved
0.6507 Remote Similarity NPD1722 Approved
0.6503 Remote Similarity NPD198 Clinical (unspecified phase)
0.6503 Remote Similarity NPD6358 Phase 2
0.6496 Remote Similarity NPD572 Clinical (unspecified phase)
0.6496 Remote Similarity NPD4543 Discontinued
0.6483 Remote Similarity NPD3625 Discontinued
0.6467 Remote Similarity NPD3100 Discontinued
0.6466 Remote Similarity NPD5656 Clinical (unspecified phase)
0.646 Remote Similarity NPD5178 Approved
0.646 Remote Similarity NPD2538 Approved
0.646 Remote Similarity NPD2539 Approved
0.6455 Remote Similarity NPD590 Approved
0.6455 Remote Similarity NPD589 Approved
0.6444 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6438 Remote Similarity NPD3943 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6489 Phase 3
0.6429 Remote Similarity NPD6694 Clinical (unspecified phase)
0.6424 Remote Similarity NPD2172 Phase 1
0.6423 Remote Similarity NPD1937 Approved
0.6422 Remote Similarity NPD603 Approved
0.6419 Remote Similarity NPD5932 Phase 3
0.6419 Remote Similarity NPD5933 Phase 3
0.6419 Remote Similarity NPD5931 Phase 3
0.6418 Remote Similarity NPD6892 Discontinued
0.64 Remote Similarity NPD5941 Approved
0.64 Remote Similarity NPD5942 Approved
0.6396 Remote Similarity NPD5371 Approved
0.6396 Remote Similarity NPD5372 Approved
0.6395 Remote Similarity NPD5527 Clinical (unspecified phase)
0.6395 Remote Similarity NPD5526 Phase 2
0.6385 Remote Similarity NPD23 Approved
0.637 Remote Similarity NPD1124 Approved
0.637 Remote Similarity NPD1123 Approved
0.6364 Remote Similarity NPD3385 Approved
0.6364 Remote Similarity NPD9563 Approved
0.6364 Remote Similarity NPD713 Clinical (unspecified phase)
0.6364 Remote Similarity NPD79 Approved
0.6364 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9564 Approved
0.6351 Remote Similarity NPD5918 Discontinued
0.635 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6343 Remote Similarity NPD5517 Phase 2
0.6343 Remote Similarity NPD5516 Phase 2
0.634 Remote Similarity NPD4120 Approved
0.634 Remote Similarity NPD2790 Discontinued
0.634 Remote Similarity NPD4121 Phase 3
0.6338 Remote Similarity NPD803 Phase 1
0.6338 Remote Similarity NPD2950 Approved
0.6338 Remote Similarity NPD2949 Approved
0.6336 Remote Similarity NPD5631 Phase 3
0.632 Remote Similarity NPD1026 Approved
0.632 Remote Similarity NPD1028 Approved
0.6311 Remote Similarity NPD6498 Approved
0.6311 Remote Similarity NPD6499 Approved
0.6309 Remote Similarity NPD5060 Phase 1
0.6304 Remote Similarity NPD4985 Clinical (unspecified phase)
0.6303 Remote Similarity NPD4407 Approved
0.6303 Remote Similarity NPD4405 Approved
0.6303 Remote Similarity NPD4408 Approved
0.6301 Remote Similarity NPD6606 Clinical (unspecified phase)
0.6299 Remote Similarity NPD5742 Approved
0.6299 Remote Similarity NPD5741 Approved
0.6299 Remote Similarity NPD5743 Approved
0.6296 Remote Similarity NPD2340 Discontinued
0.6293 Remote Similarity NPD3428 Approved
0.6293 Remote Similarity NPD3426 Approved
0.6288 Remote Similarity NPD4801 Phase 1
0.6286 Remote Similarity NPD2036 Approved
0.6283 Remote Similarity NPD4170 Approved
0.6283 Remote Similarity NPD4169 Approved
0.6283 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6273 Remote Similarity NPD5727 Clinical (unspecified phase)
0.6269 Remote Similarity NPD1216 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10130594
ChEMBL   CHEMBL1628670
ZINC  

Physicochemical Properties

Molecular Weight:  214.15
ALogP:  -1.0493
MLogP:  2.78
XLogP:  2.311
# Rotatable Bonds:  0
Polar Surface Area:  15.27
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  16

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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