Drug Information

Drug ID:  NPD786
Drug Name:  Alpha-ethyltryptamine
Molecular Formula:  C12H16N2
Canonical SMILES:  CCC(Cc1c[nH]c2c1cccc2)N
Standard InCHI:  InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
Standard InCHIKey:  ZXUMUPVQYAFTLF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD786

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9848 NPC73767
High Similarity 0.9847 NPC84911
High Similarity 0.9774 NPC469783
High Similarity 0.9774 NPC469767
High Similarity 0.9774 NPC469784
High Similarity 0.9774 NPC469761
High Similarity 0.9774 NPC469779
High Similarity 0.9774 NPC469768
High Similarity 0.9774 NPC469780
High Similarity 0.9771 NPC96102
High Similarity 0.9771 NPC261195
High Similarity 0.9771 NPC29886
High Similarity 0.9701 NPC469766
High Similarity 0.9699 NPC110126
High Similarity 0.9697 NPC105127
High Similarity 0.9489 NPC314372
High Similarity 0.9485 NPC190296
High Similarity 0.9481 NPC279081
High Similarity 0.9466 NPC82295
High Similarity 0.9338 NPC230002
High Similarity 0.922 NPC105818
High Similarity 0.922 NPC53947
High Similarity 0.922 NPC24678
High Similarity 0.9214 NPC471957
High Similarity 0.9209 NPC159856
High Similarity 0.9149 NPC321911
High Similarity 0.9143 NPC143872
High Similarity 0.9143 NPC288838
High Similarity 0.9091 NPC469763
High Similarity 0.9091 NPC469760
High Similarity 0.9091 NPC469765
High Similarity 0.9091 NPC73952
High Similarity 0.9091 NPC25008
High Similarity 0.9091 NPC200214
High Similarity 0.9091 NPC259644
High Similarity 0.9091 NPC469786
High Similarity 0.9078 NPC469811
High Similarity 0.9078 NPC201380
High Similarity 0.9078 NPC179787
High Similarity 0.9044 NPC325252
High Similarity 0.9044 NPC218268
High Similarity 0.9028 NPC75540
High Similarity 0.9028 NPC80597
High Similarity 0.9028 NPC211572
High Similarity 0.9028 NPC212376
High Similarity 0.9028 NPC70922
High Similarity 0.9021 NPC470823
High Similarity 0.9007 NPC63545
High Similarity 0.8973 NPC56765
High Similarity 0.8973 NPC41257
High Similarity 0.8973 NPC206819
High Similarity 0.8973 NPC318065
High Similarity 0.8958 NPC141926
High Similarity 0.8955 NPC22079
High Similarity 0.8904 NPC286427
High Similarity 0.8897 NPC34844
High Similarity 0.8889 NPC216713
High Similarity 0.8841 NPC150259
High Similarity 0.8836 NPC469785
High Similarity 0.8832 NPC198988
High Similarity 0.8828 NPC325903
High Similarity 0.8779 NPC41174
High Similarity 0.8776 NPC469762
High Similarity 0.8776 NPC216643
High Similarity 0.8759 NPC470233
High Similarity 0.8725 NPC282231
High Similarity 0.8723 NPC473868
High Similarity 0.8723 NPC63157
High Similarity 0.8716 NPC92796
High Similarity 0.8716 NPC135141
High Similarity 0.8714 NPC88097
High Similarity 0.8675 NPC160105
High Similarity 0.8675 NPC474561
High Similarity 0.8675 NPC49954
High Similarity 0.8667 NPC90723
High Similarity 0.8667 NPC311276
High Similarity 0.8658 NPC279918
High Similarity 0.8658 NPC470204
High Similarity 0.8657 NPC250361
High Similarity 0.8652 NPC59084
High Similarity 0.8652 NPC2949
High Similarity 0.8649 NPC236711
High Similarity 0.8613 NPC475450
High Similarity 0.8611 NPC316069
High Similarity 0.8603 NPC473587
High Similarity 0.86 NPC470203
High Similarity 0.8571 NPC125746
High Similarity 0.8562 NPC194411
High Similarity 0.8543 NPC40779
High Similarity 0.8542 NPC204141
High Similarity 0.854 NPC475428
High Similarity 0.8533 NPC215584
High Similarity 0.8533 NPC44773
High Similarity 0.8533 NPC122141
High Similarity 0.8533 NPC131718
High Similarity 0.8529 NPC473762
High Similarity 0.8521 NPC115611
High Similarity 0.8507 NPC27740
Intermediate Similarity 0.8497 NPC63751
Intermediate Similarity 0.8478 NPC179365
Intermediate Similarity 0.8467 NPC230869
Intermediate Similarity 0.8452 NPC314603
Intermediate Similarity 0.844 NPC314102
Intermediate Similarity 0.844 NPC251722
Intermediate Similarity 0.8433 NPC46358
Intermediate Similarity 0.8431 NPC49217
Intermediate Similarity 0.8431 NPC54988
Intermediate Similarity 0.8425 NPC21605
Intermediate Similarity 0.8421 NPC149265
Intermediate Similarity 0.8421 NPC194640
Intermediate Similarity 0.8421 NPC317105
Intermediate Similarity 0.8397 NPC37423
Intermediate Similarity 0.8397 NPC275305
Intermediate Similarity 0.8377 NPC201700
Intermediate Similarity 0.8367 NPC2272
Intermediate Similarity 0.8366 NPC17751
Intermediate Similarity 0.8366 NPC280864
Intermediate Similarity 0.8344 NPC474958
Intermediate Similarity 0.8311 NPC33421
Intermediate Similarity 0.8311 NPC40070
Intermediate Similarity 0.8301 NPC102423
Intermediate Similarity 0.8299 NPC470111
Intermediate Similarity 0.8291 NPC68354
Intermediate Similarity 0.8291 NPC14113
Intermediate Similarity 0.8291 NPC145885
Intermediate Similarity 0.8291 NPC84827
Intermediate Similarity 0.8288 NPC470440
Intermediate Similarity 0.8288 NPC285731
Intermediate Similarity 0.8286 NPC473930
Intermediate Similarity 0.8269 NPC470498
Intermediate Similarity 0.8269 NPC82331
Intermediate Similarity 0.8247 NPC274229
Intermediate Similarity 0.8243 NPC37548
Intermediate Similarity 0.8239 NPC176199
Intermediate Similarity 0.8239 NPC11126
Intermediate Similarity 0.8239 NPC215795
Intermediate Similarity 0.8228 NPC267885
Intermediate Similarity 0.8228 NPC280852
Intermediate Similarity 0.8217 NPC313791
Intermediate Similarity 0.8217 NPC477611
Intermediate Similarity 0.8176 NPC59269
Intermediate Similarity 0.8176 NPC248454
Intermediate Similarity 0.8175 NPC245244
Intermediate Similarity 0.8175 NPC166424
Intermediate Similarity 0.8175 NPC146373
Intermediate Similarity 0.8165 NPC149155
Intermediate Similarity 0.8165 NPC203468
Intermediate Similarity 0.8165 NPC110500
Intermediate Similarity 0.8148 NPC265605
Intermediate Similarity 0.8148 NPC48564
Intermediate Similarity 0.8148 NPC182570
Intermediate Similarity 0.8143 NPC282398
Intermediate Similarity 0.8141 NPC78020
Intermediate Similarity 0.8137 NPC233936
Intermediate Similarity 0.8129 NPC42372
Intermediate Similarity 0.8125 NPC265710
Intermediate Similarity 0.8125 NPC126709
Intermediate Similarity 0.8125 NPC248041
Intermediate Similarity 0.8105 NPC221786
Intermediate Similarity 0.8105 NPC474880
Intermediate Similarity 0.8105 NPC475990
Intermediate Similarity 0.8095 NPC242556
Intermediate Similarity 0.8092 NPC51054
Intermediate Similarity 0.8092 NPC476464
Intermediate Similarity 0.8089 NPC97343
Intermediate Similarity 0.8075 NPC16659
Intermediate Similarity 0.8075 NPC314919
Intermediate Similarity 0.8063 NPC240088
Intermediate Similarity 0.8063 NPC151939
Intermediate Similarity 0.8063 NPC473380
Intermediate Similarity 0.806 NPC91958
Intermediate Similarity 0.805 NPC293216
Intermediate Similarity 0.8037 NPC228835
Intermediate Similarity 0.8027 NPC20144
Intermediate Similarity 0.8026 NPC38736
Intermediate Similarity 0.8026 NPC470507
Intermediate Similarity 0.8012 NPC283219
Intermediate Similarity 0.8012 NPC213468
Intermediate Similarity 0.8 NPC225018
Intermediate Similarity 0.8 NPC169433
Intermediate Similarity 0.8 NPC187951
Intermediate Similarity 0.7985 NPC81561
Intermediate Similarity 0.7975 NPC163055
Intermediate Similarity 0.7974 NPC285469
Intermediate Similarity 0.7963 NPC300688
Intermediate Similarity 0.7959 NPC476454
Intermediate Similarity 0.795 NPC284775
Intermediate Similarity 0.7947 NPC148592
Intermediate Similarity 0.7945 NPC312092
Intermediate Similarity 0.7945 NPC104483
Intermediate Similarity 0.7939 NPC235684
Intermediate Similarity 0.7939 NPC94752
Intermediate Similarity 0.7937 NPC280297
Intermediate Similarity 0.7935 NPC229173
Intermediate Similarity 0.7933 NPC477134
Intermediate Similarity 0.7914 NPC307191
Intermediate Similarity 0.791 NPC148140
Intermediate Similarity 0.7908 NPC476219
Intermediate Similarity 0.7908 NPC477815
Intermediate Similarity 0.7908 NPC476297

Drug Structure

External Identifiers

TTD  
DrugBank   DB01546
ChEMBL   CHEMBL1619758
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D04092
PubChem CID  
ChEBI   134838
CAS Number  2235-90-7

Drug Properties

Molecular Weight  188.13
ALogP  -1.395
MLogP  2.56
XLogP  2.539
HDA  2
HBD  2
Rotatable Bonds  5
TPSA  41.81
RO5 Violation  0