Drug ID:   | NPD4547 |
Drug Name:   | Latrepirdine |
Molecular Formula:   | C21H25N3 |
Canonical SMILES:   | CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(nc1)C |
Standard InCHI:   | InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3 |
Standard InCHIKey:   | JNODQFNWMXFMEV-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.9306 | NPC40070 |
High Similarity | 0.9209 | NPC314102 |
High Similarity | 0.9209 | NPC251722 |
High Similarity | 0.8803 | NPC150259 |
High Similarity | 0.8741 | NPC169433 |
High Similarity | 0.8725 | NPC470233 |
High Similarity | 0.863 | NPC20144 |
High Similarity | 0.8627 | NPC215584 |
High Similarity | 0.8627 | NPC44773 |
High Similarity | 0.8523 | NPC470111 |
Intermediate Similarity | 0.8442 | NPC56765 |
Intermediate Similarity | 0.8425 | NPC73767 |
Intermediate Similarity | 0.8425 | NPC110126 |
Intermediate Similarity | 0.8406 | NPC46358 |
Intermediate Similarity | 0.84 | NPC21605 |
Intermediate Similarity | 0.84 | NPC179787 |
Intermediate Similarity | 0.84 | NPC201380 |
Intermediate Similarity | 0.8397 | NPC90723 |
Intermediate Similarity | 0.8397 | NPC478182 |
Intermediate Similarity | 0.8389 | NPC86288 |
Intermediate Similarity | 0.8367 | NPC469767 |
Intermediate Similarity | 0.8367 | NPC469783 |
Intermediate Similarity | 0.8367 | NPC469761 |
Intermediate Similarity | 0.8367 | NPC469784 |
Intermediate Similarity | 0.8367 | NPC469768 |
Intermediate Similarity | 0.8367 | NPC469779 |
Intermediate Similarity | 0.8367 | NPC469780 |
Intermediate Similarity | 0.8366 | NPC476219 |
Intermediate Similarity | 0.8345 | NPC122718 |
Intermediate Similarity | 0.8344 | NPC321911 |
Intermediate Similarity | 0.8333 | NPC63545 |
Intermediate Similarity | 0.8312 | NPC51054 |
Intermediate Similarity | 0.8311 | NPC469766 |
Intermediate Similarity | 0.8301 | NPC325903 |
Intermediate Similarity | 0.8299 | NPC104483 |
Intermediate Similarity | 0.8289 | NPC53947 |
Intermediate Similarity | 0.8288 | NPC105127 |
Intermediate Similarity | 0.8288 | NPC84911 |
Intermediate Similarity | 0.8278 | NPC469811 |
Intermediate Similarity | 0.8252 | NPC69914 |
Intermediate Similarity | 0.8219 | NPC96102 |
Intermediate Similarity | 0.8219 | NPC261195 |
Intermediate Similarity | 0.8219 | NPC29886 |
Intermediate Similarity | 0.8214 | NPC476322 |
Intermediate Similarity | 0.8212 | NPC288838 |
Intermediate Similarity | 0.8205 | NPC318065 |
Intermediate Similarity | 0.8205 | NPC477591 |
Intermediate Similarity | 0.8205 | NPC206819 |
Intermediate Similarity | 0.8205 | NPC293487 |
Intermediate Similarity | 0.8188 | NPC215519 |
Intermediate Similarity | 0.8182 | NPC476131 |
Intermediate Similarity | 0.8176 | NPC88097 |
Intermediate Similarity | 0.8176 | NPC56233 |
Intermediate Similarity | 0.8165 | NPC478184 |
Intermediate Similarity | 0.8141 | NPC129721 |
Intermediate Similarity | 0.8129 | NPC265605 |
Intermediate Similarity | 0.8129 | NPC182570 |
Intermediate Similarity | 0.8129 | NPC48564 |
Intermediate Similarity | 0.8121 | NPC59084 |
Intermediate Similarity | 0.8098 | NPC280852 |
Intermediate Similarity | 0.8067 | NPC473868 |
Intermediate Similarity | 0.8067 | NPC63157 |
Intermediate Similarity | 0.8065 | NPC138842 |
Intermediate Similarity | 0.8063 | NPC478183 |
Intermediate Similarity | 0.805 | NPC317105 |
Intermediate Similarity | 0.8043 | NPC91958 |
Intermediate Similarity | 0.8027 | NPC198988 |
Intermediate Similarity | 0.8026 | NPC314372 |
Intermediate Similarity | 0.8026 | NPC285731 |
Intermediate Similarity | 0.8025 | NPC216643 |
Intermediate Similarity | 0.8025 | NPC286427 |
Intermediate Similarity | 0.8025 | NPC236711 |
Intermediate Similarity | 0.8013 | NPC476297 |
Intermediate Similarity | 0.8013 | NPC190296 |
Intermediate Similarity | 0.8 | NPC2949 |
Intermediate Similarity | 0.8 | NPC279081 |
Intermediate Similarity | 0.8 | NPC282398 |
Intermediate Similarity | 0.7987 | NPC478185 |
Intermediate Similarity | 0.7987 | NPC470203 |
Intermediate Similarity | 0.7975 | NPC41257 |
Intermediate Similarity | 0.7971 | NPC297486 |
Intermediate Similarity | 0.7971 | NPC471402 |
Intermediate Similarity | 0.7971 | NPC240136 |
Intermediate Similarity | 0.7971 | NPC81561 |
Intermediate Similarity | 0.7963 | NPC91895 |
Intermediate Similarity | 0.7945 | NPC179365 |
Intermediate Similarity | 0.7945 | NPC475450 |
Intermediate Similarity | 0.7945 | NPC82295 |
Intermediate Similarity | 0.7943 | NPC329825 |
Intermediate Similarity | 0.7935 | NPC105818 |
Intermediate Similarity | 0.7935 | NPC24678 |
Intermediate Similarity | 0.7935 | NPC33421 |
Intermediate Similarity | 0.7933 | NPC316811 |
Intermediate Similarity | 0.7933 | NPC315348 |
Intermediate Similarity | 0.7933 | NPC32002 |
Intermediate Similarity | 0.7927 | NPC471579 |
Intermediate Similarity | 0.7925 | NPC470204 |
Intermediate Similarity | 0.7925 | NPC122141 |
Intermediate Similarity | 0.7914 | NPC162689 |
Intermediate Similarity | 0.7914 | NPC82331 |
Intermediate Similarity | 0.7914 | NPC201634 |
Intermediate Similarity | 0.7914 | NPC54102 |
Intermediate Similarity | 0.7899 | NPC148140 |
Intermediate Similarity | 0.7888 | NPC195507 |
Intermediate Similarity | 0.7888 | NPC2165 |
Intermediate Similarity | 0.7881 | NPC230002 |
Intermediate Similarity | 0.7881 | NPC115611 |
Intermediate Similarity | 0.7875 | NPC225018 |
Intermediate Similarity | 0.7862 | NPC92796 |
Intermediate Similarity | 0.7862 | NPC135141 |
Intermediate Similarity | 0.7857 | NPC143872 |
Intermediate Similarity | 0.7853 | NPC194411 |
Intermediate Similarity | 0.7853 | NPC32534 |
Intermediate Similarity | 0.7852 | NPC325252 |
Intermediate Similarity | 0.7834 | NPC200214 |
Intermediate Similarity | 0.7834 | NPC73952 |
Intermediate Similarity | 0.7834 | NPC469763 |
Intermediate Similarity | 0.7834 | NPC469760 |
Intermediate Similarity | 0.7834 | NPC469765 |
Intermediate Similarity | 0.7834 | NPC25008 |
Intermediate Similarity | 0.7834 | NPC469786 |
Intermediate Similarity | 0.7834 | NPC259644 |
Intermediate Similarity | 0.7831 | NPC157583 |
Intermediate Similarity | 0.7812 | NPC81229 |
Intermediate Similarity | 0.7812 | NPC255229 |
Intermediate Similarity | 0.7812 | NPC229173 |
Intermediate Similarity | 0.7808 | NPC473587 |
Intermediate Similarity | 0.7806 | NPC471957 |
Intermediate Similarity | 0.7792 | NPC159856 |
Intermediate Similarity | 0.7786 | NPC143603 |
Intermediate Similarity | 0.7785 | NPC211572 |
Intermediate Similarity | 0.7785 | NPC80597 |
Intermediate Similarity | 0.7785 | NPC75540 |
Intermediate Similarity | 0.7785 | NPC212376 |
Intermediate Similarity | 0.7785 | NPC70922 |
Intermediate Similarity | 0.7778 | NPC146373 |
Intermediate Similarity | 0.7778 | NPC166424 |
Intermediate Similarity | 0.7778 | NPC245244 |
Intermediate Similarity | 0.7771 | NPC474958 |
Intermediate Similarity | 0.777 | NPC473930 |
Intermediate Similarity | 0.777 | NPC476566 |
Intermediate Similarity | 0.7755 | NPC475428 |
Intermediate Similarity | 0.7755 | NPC22079 |
Intermediate Similarity | 0.775 | NPC474880 |
Intermediate Similarity | 0.775 | NPC475990 |
Intermediate Similarity | 0.775 | NPC221786 |
Intermediate Similarity | 0.774 | NPC473762 |
Intermediate Similarity | 0.7736 | NPC476464 |
Intermediate Similarity | 0.7711 | NPC275305 |
Intermediate Similarity | 0.7711 | NPC37423 |
Intermediate Similarity | 0.7708 | NPC27740 |
Intermediate Similarity | 0.7688 | NPC231536 |
Intermediate Similarity | 0.7679 | NPC12649 |
Intermediate Similarity | 0.7673 | NPC34844 |
Intermediate Similarity | 0.7669 | NPC274229 |
Intermediate Similarity | 0.7658 | NPC470823 |
Intermediate Similarity | 0.7654 | NPC194881 |
Intermediate Similarity | 0.764 | NPC6436 |
Intermediate Similarity | 0.7639 | NPC290094 |
Intermediate Similarity | 0.7628 | NPC478186 |
Intermediate Similarity | 0.7625 | NPC469785 |
Intermediate Similarity | 0.7619 | NPC68354 |
Intermediate Similarity | 0.761 | NPC141926 |
Intermediate Similarity | 0.7607 | NPC194640 |
Intermediate Similarity | 0.7605 | NPC297034 |
Intermediate Similarity | 0.7603 | NPC250361 |
Intermediate Similarity | 0.7584 | NPC256893 |
Intermediate Similarity | 0.7584 | NPC101165 |
Intermediate Similarity | 0.7578 | NPC469762 |
Intermediate Similarity | 0.7576 | NPC63751 |
Intermediate Similarity | 0.7574 | NPC176199 |
Intermediate Similarity | 0.7574 | NPC215795 |
Intermediate Similarity | 0.7564 | NPC469525 |
Intermediate Similarity | 0.7564 | NPC470440 |
Intermediate Similarity | 0.7547 | NPC216713 |
Intermediate Similarity | 0.7545 | NPC477611 |
Intermediate Similarity | 0.7532 | NPC284635 |
Intermediate Similarity | 0.753 | NPC97343 |
Intermediate Similarity | 0.753 | NPC474897 |
Intermediate Similarity | 0.7529 | NPC255909 |
Intermediate Similarity | 0.7529 | NPC24864 |
Intermediate Similarity | 0.7529 | NPC314919 |
Intermediate Similarity | 0.7515 | NPC474561 |
Intermediate Similarity | 0.7515 | NPC237188 |
Intermediate Similarity | 0.7515 | NPC49954 |
Intermediate Similarity | 0.75 | NPC311276 |
Intermediate Similarity | 0.75 | NPC218268 |
Intermediate Similarity | 0.75 | NPC317054 |
Intermediate Similarity | 0.75 | NPC271797 |
Intermediate Similarity | 0.75 | NPC21174 |
Intermediate Similarity | 0.7486 | NPC265576 |
Intermediate Similarity | 0.7483 | NPC169625 |
Intermediate Similarity | 0.7483 | NPC202957 |
Intermediate Similarity | 0.7471 | NPC248462 |
Intermediate Similarity | 0.747 | NPC201700 |
Intermediate Similarity | 0.7469 | NPC193740 |
Intermediate Similarity | 0.7469 | NPC167635 |
Intermediate Similarity | 0.7468 | NPC312092 |
Intermediate Similarity | 0.7464 | NPC27802 |
Intermediate Similarity | 0.7456 | NPC203754 |
Molecular Weight   | 319.20 |
ALogP   | 1.2126 |
MLogP   | 3.44 |
XLogP   | 4.51 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 21.06 |
RO5 Violation   | 0 |