Drug ID:   | NPD4181 |
Drug Name:   | terguride |
Molecular Formula:   | C20H28N4O |
Canonical SMILES:   | CCN(C(=N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)O)CC |
Standard InCHI:   | InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1 |
Standard InCHIKey:   | JOAHPSVPXZTVEP-YXJHDRRASA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | IUPHAR/BPS |
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 | 0.9241 | NPC56765 |
High Similarity | 0.9 | NPC318065 |
High Similarity | 0.9 | NPC206819 |
High Similarity | 0.8963 | NPC194411 |
High Similarity | 0.8802 | NPC275305 |
High Similarity | 0.8802 | NPC37423 |
High Similarity | 0.8765 | NPC41257 |
High Similarity | 0.8757 | NPC215795 |
High Similarity | 0.8757 | NPC176199 |
High Similarity | 0.872 | NPC90723 |
High Similarity | 0.8704 | NPC286427 |
High Similarity | 0.8698 | NPC68354 |
High Similarity | 0.8625 | NPC33421 |
High Similarity | 0.8598 | NPC215584 |
High Similarity | 0.8598 | NPC44773 |
High Similarity | 0.8523 | NPC95783 |
Intermediate Similarity | 0.8434 | NPC470203 |
Intermediate Similarity | 0.8415 | NPC51054 |
Intermediate Similarity | 0.8375 | NPC314372 |
Intermediate Similarity | 0.8373 | NPC470204 |
Intermediate Similarity | 0.8365 | NPC190296 |
Intermediate Similarity | 0.8293 | NPC325903 |
Intermediate Similarity | 0.8291 | NPC73767 |
Intermediate Similarity | 0.8284 | NPC49217 |
Intermediate Similarity | 0.8282 | NPC105818 |
Intermediate Similarity | 0.8282 | NPC24678 |
Intermediate Similarity | 0.8263 | NPC122141 |
Intermediate Similarity | 0.8261 | NPC204141 |
Intermediate Similarity | 0.8239 | NPC469768 |
Intermediate Similarity | 0.8239 | NPC469783 |
Intermediate Similarity | 0.8239 | NPC469767 |
Intermediate Similarity | 0.8239 | NPC469761 |
Intermediate Similarity | 0.8239 | NPC469779 |
Intermediate Similarity | 0.8239 | NPC469784 |
Intermediate Similarity | 0.8239 | NPC469780 |
Intermediate Similarity | 0.8221 | NPC321911 |
Intermediate Similarity | 0.821 | NPC143872 |
Intermediate Similarity | 0.8187 | NPC469766 |
Intermediate Similarity | 0.8182 | NPC469786 |
Intermediate Similarity | 0.8182 | NPC25008 |
Intermediate Similarity | 0.8182 | NPC259644 |
Intermediate Similarity | 0.8182 | NPC469760 |
Intermediate Similarity | 0.8182 | NPC73952 |
Intermediate Similarity | 0.8182 | NPC469765 |
Intermediate Similarity | 0.8182 | NPC469763 |
Intermediate Similarity | 0.8176 | NPC110126 |
Intermediate Similarity | 0.8171 | NPC53947 |
Intermediate Similarity | 0.8165 | NPC84911 |
Intermediate Similarity | 0.816 | NPC179787 |
Intermediate Similarity | 0.816 | NPC469811 |
Intermediate Similarity | 0.816 | NPC201380 |
Intermediate Similarity | 0.816 | NPC471957 |
Intermediate Similarity | 0.8148 | NPC159856 |
Intermediate Similarity | 0.8133 | NPC70922 |
Intermediate Similarity | 0.8133 | NPC80597 |
Intermediate Similarity | 0.8133 | NPC212376 |
Intermediate Similarity | 0.8133 | NPC75540 |
Intermediate Similarity | 0.8133 | NPC211572 |
Intermediate Similarity | 0.8129 | NPC201700 |
Intermediate Similarity | 0.8121 | NPC470233 |
Intermediate Similarity | 0.8103 | NPC280852 |
Intermediate Similarity | 0.8101 | NPC325252 |
Intermediate Similarity | 0.8101 | NPC29886 |
Intermediate Similarity | 0.8101 | NPC261195 |
Intermediate Similarity | 0.8101 | NPC96102 |
Intermediate Similarity | 0.8098 | NPC63545 |
Intermediate Similarity | 0.8095 | NPC135141 |
Intermediate Similarity | 0.8095 | NPC92796 |
Intermediate Similarity | 0.807 | NPC160105 |
Intermediate Similarity | 0.807 | NPC474561 |
Intermediate Similarity | 0.807 | NPC49954 |
Intermediate Similarity | 0.8068 | NPC16659 |
Intermediate Similarity | 0.8063 | NPC88097 |
Intermediate Similarity | 0.8057 | NPC151939 |
Intermediate Similarity | 0.805 | NPC105127 |
Intermediate Similarity | 0.8049 | NPC21605 |
Intermediate Similarity | 0.8038 | NPC198988 |
Intermediate Similarity | 0.8023 | NPC63751 |
Intermediate Similarity | 0.8011 | NPC265710 |
Intermediate Similarity | 0.8 | NPC225018 |
Intermediate Similarity | 0.7988 | NPC221786 |
Intermediate Similarity | 0.7988 | NPC288838 |
Intermediate Similarity | 0.7988 | NPC475990 |
Intermediate Similarity | 0.7988 | NPC474880 |
Intermediate Similarity | 0.7978 | NPC19679 |
Intermediate Similarity | 0.7976 | NPC469785 |
Intermediate Similarity | 0.7966 | NPC300688 |
Intermediate Similarity | 0.7964 | NPC200214 |
Intermediate Similarity | 0.7963 | NPC473868 |
Intermediate Similarity | 0.7963 | NPC63157 |
Intermediate Similarity | 0.7953 | NPC317105 |
Intermediate Similarity | 0.7944 | NPC94752 |
Intermediate Similarity | 0.7937 | NPC314102 |
Intermediate Similarity | 0.7937 | NPC251722 |
Intermediate Similarity | 0.7929 | NPC236711 |
Intermediate Similarity | 0.7929 | NPC216643 |
Intermediate Similarity | 0.7929 | NPC469762 |
Intermediate Similarity | 0.7904 | NPC216713 |
Intermediate Similarity | 0.7903 | NPC265576 |
Intermediate Similarity | 0.7901 | NPC279081 |
Intermediate Similarity | 0.7901 | NPC59084 |
Intermediate Similarity | 0.7895 | NPC282231 |
Intermediate Similarity | 0.7888 | NPC169433 |
Intermediate Similarity | 0.7886 | NPC314603 |
Intermediate Similarity | 0.7853 | NPC473380 |
Intermediate Similarity | 0.7853 | NPC59269 |
Intermediate Similarity | 0.7853 | NPC240088 |
Intermediate Similarity | 0.7849 | NPC194640 |
Intermediate Similarity | 0.7849 | NPC311276 |
Intermediate Similarity | 0.7848 | NPC82295 |
Intermediate Similarity | 0.7844 | NPC40070 |
Intermediate Similarity | 0.7836 | NPC229173 |
Intermediate Similarity | 0.7836 | NPC279918 |
Intermediate Similarity | 0.7833 | NPC228835 |
Intermediate Similarity | 0.7831 | NPC477134 |
Intermediate Similarity | 0.7831 | NPC470111 |
Intermediate Similarity | 0.7821 | NPC307191 |
Intermediate Similarity | 0.7818 | NPC470440 |
Intermediate Similarity | 0.7809 | NPC213468 |
Intermediate Similarity | 0.7809 | NPC11126 |
Intermediate Similarity | 0.7797 | NPC474958 |
Intermediate Similarity | 0.7791 | NPC230002 |
Intermediate Similarity | 0.7791 | NPC2949 |
Intermediate Similarity | 0.779 | NPC15102 |
Intermediate Similarity | 0.7778 | NPC6436 |
Intermediate Similarity | 0.7764 | NPC218268 |
Intermediate Similarity | 0.7754 | NPC229332 |
Intermediate Similarity | 0.7746 | NPC40779 |
Intermediate Similarity | 0.7746 | NPC21174 |
Intermediate Similarity | 0.7746 | NPC271797 |
Intermediate Similarity | 0.774 | NPC329688 |
Intermediate Similarity | 0.774 | NPC189812 |
Intermediate Similarity | 0.773 | NPC316359 |
Intermediate Similarity | 0.773 | NPC312092 |
Intermediate Similarity | 0.773 | NPC315617 |
Intermediate Similarity | 0.7727 | NPC201634 |
Intermediate Similarity | 0.7716 | NPC125746 |
Intermediate Similarity | 0.7714 | NPC317430 |
Intermediate Similarity | 0.7684 | NPC472123 |
Intermediate Similarity | 0.7684 | NPC313791 |
Intermediate Similarity | 0.7683 | NPC115611 |
Intermediate Similarity | 0.7673 | NPC282398 |
Intermediate Similarity | 0.7663 | NPC213629 |
Intermediate Similarity | 0.7661 | NPC184476 |
Intermediate Similarity | 0.7657 | NPC54988 |
Intermediate Similarity | 0.7644 | NPC472587 |
Intermediate Similarity | 0.7644 | NPC247987 |
Intermediate Similarity | 0.7637 | NPC108011 |
Intermediate Similarity | 0.7637 | NPC472294 |
Intermediate Similarity | 0.7634 | NPC314058 |
Intermediate Similarity | 0.7634 | NPC316018 |
Intermediate Similarity | 0.7634 | NPC47190 |
Intermediate Similarity | 0.763 | NPC131718 |
Intermediate Similarity | 0.7627 | NPC82331 |
Intermediate Similarity | 0.7625 | NPC475450 |
Intermediate Similarity | 0.7624 | NPC233936 |
Intermediate Similarity | 0.7617 | NPC475288 |
Intermediate Similarity | 0.7607 | NPC150259 |
Intermediate Similarity | 0.7602 | NPC38736 |
Intermediate Similarity | 0.7602 | NPC476219 |
Intermediate Similarity | 0.7602 | NPC34844 |
Intermediate Similarity | 0.76 | NPC280864 |
Intermediate Similarity | 0.76 | NPC17751 |
Intermediate Similarity | 0.7596 | NPC308931 |
Intermediate Similarity | 0.7596 | NPC99939 |
Intermediate Similarity | 0.759 | NPC20144 |
Intermediate Similarity | 0.7588 | NPC470823 |
Intermediate Similarity | 0.7574 | NPC37548 |
Intermediate Similarity | 0.7572 | NPC230869 |
Intermediate Similarity | 0.7571 | NPC474897 |
Intermediate Similarity | 0.7571 | NPC280548 |
Intermediate Similarity | 0.7562 | NPC22079 |
Intermediate Similarity | 0.7562 | NPC475428 |
Intermediate Similarity | 0.7556 | NPC248454 |
Intermediate Similarity | 0.7554 | NPC474707 |
Intermediate Similarity | 0.7544 | NPC141926 |
Intermediate Similarity | 0.7543 | NPC478182 |
Intermediate Similarity | 0.7542 | NPC317054 |
Intermediate Similarity | 0.754 | NPC477167 |
Intermediate Similarity | 0.754 | NPC304187 |
Intermediate Similarity | 0.754 | NPC473342 |
Intermediate Similarity | 0.754 | NPC477166 |
Intermediate Similarity | 0.7528 | NPC470498 |
Intermediate Similarity | 0.7516 | NPC179365 |
Intermediate Similarity | 0.7516 | NPC471322 |
Intermediate Similarity | 0.7514 | NPC317030 |
Intermediate Similarity | 0.7514 | NPC129721 |
Intermediate Similarity | 0.7514 | NPC167635 |
Intermediate Similarity | 0.7514 | NPC193740 |
Intermediate Similarity | 0.7514 | NPC17059 |
Intermediate Similarity | 0.7514 | NPC204565 |
Intermediate Similarity | 0.75 | NPC476297 |
Intermediate Similarity | 0.75 | NPC274229 |
Intermediate Similarity | 0.75 | NPC473587 |
Intermediate Similarity | 0.7488 | NPC155444 |
Intermediate Similarity | 0.7487 | NPC473362 |
Intermediate Similarity | 0.7487 | NPC166492 |
Intermediate Similarity | 0.7486 | NPC477611 |
Intermediate Similarity | 0.7475 | NPC153980 |
Intermediate Similarity | 0.7475 | NPC6865 |
TTD   | DNCL001870 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | 56 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 443951 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 340.23 |
ALogP   | 0.1366 |
MLogP   | 3.11 |
XLogP   | 3.578 |
HDA   | 5 |
HBD   | 2 |
Rotatable Bonds   | 8 |
TPSA   | 54.86 |
RO5 Violation   | 0 |