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