Drug ID:   | NPD3115 |
Drug Name:   | Chloroquine |
Molecular Formula:   | C18H26ClN3 |
Canonical SMILES:   | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC |
Standard InCHI:   | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) |
Standard InCHIKey:   | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; 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 | 1.0 | NPC476464 |
High Similarity | 0.8707 | NPC315348 |
High Similarity | 0.8707 | NPC32002 |
Intermediate Similarity | 0.8092 | NPC110126 |
Intermediate Similarity | 0.8092 | NPC73767 |
Intermediate Similarity | 0.8079 | NPC314102 |
Intermediate Similarity | 0.8079 | NPC251722 |
Intermediate Similarity | 0.8056 | NPC46358 |
Intermediate Similarity | 0.8039 | NPC469768 |
Intermediate Similarity | 0.8039 | NPC469779 |
Intermediate Similarity | 0.8039 | NPC469783 |
Intermediate Similarity | 0.8039 | NPC469780 |
Intermediate Similarity | 0.8039 | NPC469761 |
Intermediate Similarity | 0.8039 | NPC469767 |
Intermediate Similarity | 0.8039 | NPC469784 |
Intermediate Similarity | 0.8012 | NPC477591 |
Intermediate Similarity | 0.7987 | NPC476454 |
Intermediate Similarity | 0.7987 | NPC469766 |
Intermediate Similarity | 0.7961 | NPC84911 |
Intermediate Similarity | 0.7961 | NPC105127 |
Intermediate Similarity | 0.7901 | NPC56765 |
Intermediate Similarity | 0.7895 | NPC261195 |
Intermediate Similarity | 0.7895 | NPC96102 |
Intermediate Similarity | 0.7895 | NPC29886 |
Intermediate Similarity | 0.7882 | NPC314919 |
Intermediate Similarity | 0.7867 | NPC82295 |
Intermediate Similarity | 0.7823 | NPC146373 |
Intermediate Similarity | 0.7823 | NPC166424 |
Intermediate Similarity | 0.7823 | NPC245244 |
Intermediate Similarity | 0.7799 | NPC321911 |
Intermediate Similarity | 0.7756 | NPC63157 |
Intermediate Similarity | 0.7756 | NPC473868 |
Intermediate Similarity | 0.7755 | NPC27740 |
Intermediate Similarity | 0.775 | NPC53947 |
Intermediate Similarity | 0.775 | NPC40070 |
Intermediate Similarity | 0.7736 | NPC179787 |
Intermediate Similarity | 0.7736 | NPC201380 |
Intermediate Similarity | 0.7736 | NPC469811 |
Intermediate Similarity | 0.7727 | NPC150259 |
Intermediate Similarity | 0.7722 | NPC314372 |
Intermediate Similarity | 0.7707 | NPC190296 |
Intermediate Similarity | 0.7702 | NPC470233 |
Intermediate Similarity | 0.7692 | NPC59084 |
Intermediate Similarity | 0.7692 | NPC279081 |
Intermediate Similarity | 0.7688 | NPC83381 |
Intermediate Similarity | 0.7683 | NPC318065 |
Intermediate Similarity | 0.7683 | NPC206819 |
Intermediate Similarity | 0.7682 | NPC282398 |
Intermediate Similarity | 0.7673 | NPC63545 |
Intermediate Similarity | 0.7673 | NPC288838 |
Intermediate Similarity | 0.7662 | NPC325252 |
Intermediate Similarity | 0.7654 | NPC325903 |
Intermediate Similarity | 0.7651 | NPC317105 |
Intermediate Similarity | 0.7651 | NPC90723 |
Intermediate Similarity | 0.764 | NPC105818 |
Intermediate Similarity | 0.764 | NPC24678 |
Intermediate Similarity | 0.7613 | NPC471312 |
Intermediate Similarity | 0.7597 | NPC198988 |
Intermediate Similarity | 0.758 | NPC2949 |
Intermediate Similarity | 0.758 | NPC230002 |
Intermediate Similarity | 0.7576 | NPC41257 |
Intermediate Similarity | 0.7574 | NPC116961 |
Intermediate Similarity | 0.7562 | NPC143872 |
Intermediate Similarity | 0.7551 | NPC265605 |
Intermediate Similarity | 0.7551 | NPC182570 |
Intermediate Similarity | 0.7551 | NPC48564 |
Intermediate Similarity | 0.7546 | NPC25008 |
Intermediate Similarity | 0.7546 | NPC469765 |
Intermediate Similarity | 0.7546 | NPC73952 |
Intermediate Similarity | 0.7546 | NPC469760 |
Intermediate Similarity | 0.7546 | NPC259644 |
Intermediate Similarity | 0.7546 | NPC469786 |
Intermediate Similarity | 0.7546 | NPC200214 |
Intermediate Similarity | 0.7546 | NPC469763 |
Intermediate Similarity | 0.7542 | NPC315617 |
Intermediate Similarity | 0.7542 | NPC316359 |
Intermediate Similarity | 0.7529 | NPC201634 |
Intermediate Similarity | 0.7517 | NPC81561 |
Intermediate Similarity | 0.7516 | NPC471957 |
Intermediate Similarity | 0.7516 | NPC21605 |
Intermediate Similarity | 0.7516 | NPC88097 |
Intermediate Similarity | 0.7515 | NPC286427 |
Intermediate Similarity | 0.75 | NPC211572 |
Intermediate Similarity | 0.75 | NPC80597 |
Intermediate Similarity | 0.75 | NPC70922 |
Intermediate Similarity | 0.75 | NPC212376 |
Intermediate Similarity | 0.75 | NPC75540 |
Intermediate Similarity | 0.75 | NPC159856 |
Intermediate Similarity | 0.7485 | NPC470203 |
Intermediate Similarity | 0.7466 | NPC91958 |
Intermediate Similarity | 0.7452 | NPC169433 |
Intermediate Similarity | 0.7448 | NPC148140 |
Intermediate Similarity | 0.7444 | NPC314058 |
Intermediate Similarity | 0.7444 | NPC316018 |
Intermediate Similarity | 0.7434 | NPC89490 |
Intermediate Similarity | 0.7425 | NPC470204 |
Intermediate Similarity | 0.7425 | NPC215584 |
Intermediate Similarity | 0.7425 | NPC44773 |
Intermediate Similarity | 0.741 | NPC216643 |
Intermediate Similarity | 0.741 | NPC236711 |
Intermediate Similarity | 0.7407 | NPC470111 |
Intermediate Similarity | 0.7405 | NPC316811 |
Intermediate Similarity | 0.7403 | NPC101165 |
Intermediate Similarity | 0.74 | NPC476322 |
Intermediate Similarity | 0.7399 | NPC474958 |
Intermediate Similarity | 0.7397 | NPC471402 |
Intermediate Similarity | 0.7397 | NPC240136 |
Intermediate Similarity | 0.7397 | NPC297486 |
Intermediate Similarity | 0.7394 | NPC34844 |
Intermediate Similarity | 0.7394 | NPC476297 |
Intermediate Similarity | 0.7394 | NPC476219 |
Intermediate Similarity | 0.7391 | NPC86288 |
Intermediate Similarity | 0.7386 | NPC475090 |
Intermediate Similarity | 0.7386 | NPC475105 |
Intermediate Similarity | 0.7386 | NPC329896 |
Intermediate Similarity | 0.7378 | NPC470823 |
Intermediate Similarity | 0.7375 | NPC20144 |
Intermediate Similarity | 0.7368 | NPC194411 |
Intermediate Similarity | 0.7365 | NPC92796 |
Intermediate Similarity | 0.7365 | NPC135141 |
Intermediate Similarity | 0.7358 | NPC115611 |
Intermediate Similarity | 0.7353 | NPC474561 |
Intermediate Similarity | 0.7353 | NPC49954 |
Intermediate Similarity | 0.7349 | NPC469785 |
Intermediate Similarity | 0.7347 | NPC143603 |
Intermediate Similarity | 0.7338 | NPC22079 |
Intermediate Similarity | 0.7333 | NPC141926 |
Intermediate Similarity | 0.7326 | NPC82331 |
Intermediate Similarity | 0.7325 | NPC218268 |
Intermediate Similarity | 0.7321 | NPC122141 |
Intermediate Similarity | 0.7317 | NPC33421 |
Intermediate Similarity | 0.7305 | NPC469762 |
Intermediate Similarity | 0.7299 | NPC280852 |
Intermediate Similarity | 0.7296 | NPC104483 |
Intermediate Similarity | 0.729 | NPC471322 |
Intermediate Similarity | 0.7284 | NPC204141 |
Intermediate Similarity | 0.7278 | NPC282231 |
Intermediate Similarity | 0.7278 | NPC125746 |
Intermediate Similarity | 0.7273 | NPC216713 |
Intermediate Similarity | 0.7267 | NPC41174 |
Intermediate Similarity | 0.7251 | NPC160105 |
Intermediate Similarity | 0.7248 | NPC215519 |
Intermediate Similarity | 0.7246 | NPC51054 |
Intermediate Similarity | 0.7241 | NPC37423 |
Intermediate Similarity | 0.7241 | NPC275305 |
Intermediate Similarity | 0.7239 | NPC316069 |
Intermediate Similarity | 0.7235 | NPC311276 |
Intermediate Similarity | 0.7232 | NPC233936 |
Intermediate Similarity | 0.723 | NPC54102 |
Intermediate Similarity | 0.723 | NPC162689 |
Intermediate Similarity | 0.7219 | NPC290094 |
Intermediate Similarity | 0.7219 | NPC279918 |
Intermediate Similarity | 0.7209 | NPC63751 |
Intermediate Similarity | 0.7202 | NPC129721 |
Intermediate Similarity | 0.7179 | NPC475450 |
Intermediate Similarity | 0.7179 | NPC256893 |
Intermediate Similarity | 0.7178 | NPC470440 |
Intermediate Similarity | 0.7178 | NPC285731 |
Intermediate Similarity | 0.7176 | NPC225018 |
Intermediate Similarity | 0.7171 | NPC122718 |
Intermediate Similarity | 0.7161 | NPC476131 |
Intermediate Similarity | 0.716 | NPC475990 |
Intermediate Similarity | 0.716 | NPC221786 |
Intermediate Similarity | 0.716 | NPC474880 |
Intermediate Similarity | 0.7159 | NPC68354 |
Intermediate Similarity | 0.7153 | NPC27802 |
Intermediate Similarity | 0.7143 | NPC115049 |
Intermediate Similarity | 0.7143 | NPC471579 |
Intermediate Similarity | 0.7143 | NPC284635 |
Intermediate Similarity | 0.7135 | NPC40779 |
Intermediate Similarity | 0.7135 | NPC478184 |
Intermediate Similarity | 0.7135 | NPC194640 |
Intermediate Similarity | 0.7135 | NPC478182 |
Intermediate Similarity | 0.7126 | NPC138842 |
Intermediate Similarity | 0.7119 | NPC176199 |
Intermediate Similarity | 0.7119 | NPC215795 |
Intermediate Similarity | 0.7115 | NPC69914 |
Intermediate Similarity | 0.711 | NPC201700 |
Intermediate Similarity | 0.7101 | NPC167635 |
Intermediate Similarity | 0.7101 | NPC193740 |
Intermediate Similarity | 0.7093 | NPC274229 |
Intermediate Similarity | 0.7086 | NPC477611 |
Intermediate Similarity | 0.7086 | NPC314603 |
Intermediate Similarity | 0.7078 | NPC250361 |
Intermediate Similarity | 0.7078 | NPC169625 |
Intermediate Similarity | 0.7078 | NPC202957 |
Intermediate Similarity | 0.7056 | NPC467063 |
Intermediate Similarity | 0.7052 | NPC49217 |
Intermediate Similarity | 0.7052 | NPC54988 |
Intermediate Similarity | 0.7051 | NPC473587 |
Intermediate Similarity | 0.7039 | NPC329825 |
Intermediate Similarity | 0.7035 | NPC149265 |
Intermediate Similarity | 0.7032 | NPC471311 |
Intermediate Similarity | 0.7032 | NPC471313 |
Intermediate Similarity | 0.7022 | NPC11126 |
Intermediate Similarity | 0.7018 | NPC131718 |
Intermediate Similarity | 0.7018 | NPC229173 |
Intermediate Similarity | 0.7006 | NPC475428 |
Intermediate Similarity | 0.7 | NPC469897 |
Remote Similarity | 0.6994 | NPC280864 |
Molecular Weight   | 319.18 |
ALogP   | 0.479 |
MLogP   | 3 |
XLogP   | 4.148 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 12 |
TPSA   | 28.16 |
RO5 Violation   | 0 |