Drug ID:   | NPD2006 |
Drug Name:   | besipirdine |
Molecular Formula:   | C16H17N3 |
Canonical SMILES:   | CCCN(n1ccc2c1cccc2)c1ccncc1 |
Standard InCHI:   | InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3 |
Standard InCHIKey:   | OTPPJICEBWOCKD-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
Max Developmental Stage Source:   | TTD |
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 | 0.8657 | NPC46358 |
High Similarity | 0.8652 | NPC251722 |
High Similarity | 0.8652 | NPC314102 |
High Similarity | 0.8639 | NPC40070 |
High Similarity | 0.8521 | NPC150259 |
High Similarity | 0.8503 | NPC470111 |
Intermediate Similarity | 0.8378 | NPC179787 |
Intermediate Similarity | 0.8378 | NPC201380 |
Intermediate Similarity | 0.8354 | NPC471579 |
Intermediate Similarity | 0.8345 | NPC469768 |
Intermediate Similarity | 0.8345 | NPC469784 |
Intermediate Similarity | 0.8345 | NPC469783 |
Intermediate Similarity | 0.8345 | NPC469761 |
Intermediate Similarity | 0.8345 | NPC469779 |
Intermediate Similarity | 0.8345 | NPC469780 |
Intermediate Similarity | 0.8345 | NPC469767 |
Intermediate Similarity | 0.8322 | NPC321911 |
Intermediate Similarity | 0.8311 | NPC63545 |
Intermediate Similarity | 0.8288 | NPC469766 |
Intermediate Similarity | 0.8276 | NPC110126 |
Intermediate Similarity | 0.8276 | NPC73767 |
Intermediate Similarity | 0.8267 | NPC53947 |
Intermediate Similarity | 0.8264 | NPC105127 |
Intermediate Similarity | 0.8264 | NPC84911 |
Intermediate Similarity | 0.8255 | NPC469811 |
Intermediate Similarity | 0.8243 | NPC86288 |
Intermediate Similarity | 0.8235 | NPC265605 |
Intermediate Similarity | 0.8235 | NPC48564 |
Intermediate Similarity | 0.8235 | NPC182570 |
Intermediate Similarity | 0.8212 | NPC470233 |
Intermediate Similarity | 0.8194 | NPC29886 |
Intermediate Similarity | 0.8194 | NPC261195 |
Intermediate Similarity | 0.8194 | NPC96102 |
Intermediate Similarity | 0.8188 | NPC288838 |
Intermediate Similarity | 0.8169 | NPC82295 |
Intermediate Similarity | 0.8158 | NPC325903 |
Intermediate Similarity | 0.8141 | NPC317105 |
Intermediate Similarity | 0.8082 | NPC169433 |
Intermediate Similarity | 0.8074 | NPC81561 |
Intermediate Similarity | 0.8052 | NPC476464 |
Intermediate Similarity | 0.8027 | NPC104483 |
Intermediate Similarity | 0.8025 | NPC478182 |
Intermediate Similarity | 0.8015 | NPC91958 |
Intermediate Similarity | 0.8013 | NPC44773 |
Intermediate Similarity | 0.8013 | NPC215584 |
Intermediate Similarity | 0.8 | NPC236711 |
Intermediate Similarity | 0.8 | NPC148140 |
Intermediate Similarity | 0.8 | NPC285731 |
Intermediate Similarity | 0.8 | NPC314372 |
Intermediate Similarity | 0.7987 | NPC190296 |
Intermediate Similarity | 0.7987 | NPC20144 |
Intermediate Similarity | 0.7973 | NPC279081 |
Intermediate Similarity | 0.7973 | NPC59084 |
Intermediate Similarity | 0.7962 | NPC470203 |
Intermediate Similarity | 0.7949 | NPC477591 |
Intermediate Similarity | 0.7949 | NPC56765 |
Intermediate Similarity | 0.7929 | NPC476322 |
Intermediate Similarity | 0.7929 | NPC27740 |
Intermediate Similarity | 0.7922 | NPC138842 |
Intermediate Similarity | 0.7919 | NPC63157 |
Intermediate Similarity | 0.7919 | NPC473868 |
Intermediate Similarity | 0.7908 | NPC24678 |
Intermediate Similarity | 0.7908 | NPC105818 |
Intermediate Similarity | 0.7898 | NPC470204 |
Intermediate Similarity | 0.7885 | NPC129721 |
Intermediate Similarity | 0.7885 | NPC216643 |
Intermediate Similarity | 0.7883 | NPC143603 |
Intermediate Similarity | 0.7883 | NPC54102 |
Intermediate Similarity | 0.7883 | NPC162689 |
Intermediate Similarity | 0.7877 | NPC198988 |
Intermediate Similarity | 0.7852 | NPC115611 |
Intermediate Similarity | 0.7852 | NPC230002 |
Intermediate Similarity | 0.7852 | NPC2949 |
Intermediate Similarity | 0.7847 | NPC282398 |
Intermediate Similarity | 0.7834 | NPC293487 |
Intermediate Similarity | 0.7834 | NPC135141 |
Intermediate Similarity | 0.7834 | NPC92796 |
Intermediate Similarity | 0.7829 | NPC143872 |
Intermediate Similarity | 0.7823 | NPC325252 |
Intermediate Similarity | 0.7821 | NPC51054 |
Intermediate Similarity | 0.781 | NPC471402 |
Intermediate Similarity | 0.781 | NPC240136 |
Intermediate Similarity | 0.781 | NPC297486 |
Intermediate Similarity | 0.7806 | NPC259644 |
Intermediate Similarity | 0.7806 | NPC469760 |
Intermediate Similarity | 0.7806 | NPC73952 |
Intermediate Similarity | 0.7806 | NPC469763 |
Intermediate Similarity | 0.7806 | NPC469786 |
Intermediate Similarity | 0.7806 | NPC469765 |
Intermediate Similarity | 0.7806 | NPC25008 |
Intermediate Similarity | 0.7801 | NPC122718 |
Intermediate Similarity | 0.7799 | NPC478184 |
Intermediate Similarity | 0.7799 | NPC90723 |
Intermediate Similarity | 0.7785 | NPC122141 |
Intermediate Similarity | 0.7785 | NPC32002 |
Intermediate Similarity | 0.7785 | NPC315348 |
Intermediate Similarity | 0.7785 | NPC316811 |
Intermediate Similarity | 0.7778 | NPC471957 |
Intermediate Similarity | 0.7778 | NPC82331 |
Intermediate Similarity | 0.7778 | NPC476131 |
Intermediate Similarity | 0.7771 | NPC286427 |
Intermediate Similarity | 0.777 | NPC215519 |
Intermediate Similarity | 0.7763 | NPC159856 |
Intermediate Similarity | 0.7756 | NPC476219 |
Intermediate Similarity | 0.7756 | NPC80597 |
Intermediate Similarity | 0.7756 | NPC211572 |
Intermediate Similarity | 0.7756 | NPC70922 |
Intermediate Similarity | 0.7756 | NPC476297 |
Intermediate Similarity | 0.7756 | NPC212376 |
Intermediate Similarity | 0.7756 | NPC75540 |
Intermediate Similarity | 0.7744 | NPC474958 |
Intermediate Similarity | 0.7736 | NPC225018 |
Intermediate Similarity | 0.7733 | NPC284635 |
Intermediate Similarity | 0.773 | NPC290094 |
Intermediate Similarity | 0.7724 | NPC22079 |
Intermediate Similarity | 0.7724 | NPC69914 |
Intermediate Similarity | 0.7722 | NPC318065 |
Intermediate Similarity | 0.7722 | NPC206819 |
Intermediate Similarity | 0.7722 | NPC41257 |
Intermediate Similarity | 0.7702 | NPC478183 |
Intermediate Similarity | 0.7692 | NPC200214 |
Intermediate Similarity | 0.7687 | NPC27802 |
Intermediate Similarity | 0.7671 | NPC475450 |
Intermediate Similarity | 0.7671 | NPC256893 |
Intermediate Similarity | 0.7667 | NPC88097 |
Intermediate Similarity | 0.7662 | NPC21605 |
Intermediate Similarity | 0.766 | NPC41174 |
Intermediate Similarity | 0.764 | NPC274229 |
Intermediate Similarity | 0.7636 | NPC280852 |
Intermediate Similarity | 0.7628 | NPC470823 |
Intermediate Similarity | 0.7625 | NPC478185 |
Intermediate Similarity | 0.7622 | NPC146373 |
Intermediate Similarity | 0.7622 | NPC245244 |
Intermediate Similarity | 0.7622 | NPC166424 |
Intermediate Similarity | 0.7607 | NPC91895 |
Intermediate Similarity | 0.7595 | NPC469785 |
Intermediate Similarity | 0.7593 | NPC56233 |
Intermediate Similarity | 0.758 | NPC141926 |
Intermediate Similarity | 0.7569 | NPC250361 |
Intermediate Similarity | 0.7569 | NPC169625 |
Intermediate Similarity | 0.7569 | NPC202957 |
Intermediate Similarity | 0.7561 | NPC201634 |
Intermediate Similarity | 0.7547 | NPC469762 |
Intermediate Similarity | 0.7534 | NPC473587 |
Intermediate Similarity | 0.7533 | NPC125746 |
Intermediate Similarity | 0.7532 | NPC34844 |
Intermediate Similarity | 0.7517 | NPC471311 |
Intermediate Similarity | 0.7517 | NPC471313 |
Intermediate Similarity | 0.7516 | NPC216713 |
Intermediate Similarity | 0.7515 | NPC477611 |
Intermediate Similarity | 0.75 | NPC32534 |
Intermediate Similarity | 0.75 | NPC97343 |
Intermediate Similarity | 0.7485 | NPC474561 |
Intermediate Similarity | 0.7485 | NPC49954 |
Intermediate Similarity | 0.7485 | NPC157583 |
Intermediate Similarity | 0.7484 | NPC316069 |
Intermediate Similarity | 0.7483 | NPC475428 |
Intermediate Similarity | 0.7482 | NPC476566 |
Intermediate Similarity | 0.747 | NPC297034 |
Intermediate Similarity | 0.7469 | NPC311276 |
Intermediate Similarity | 0.7467 | NPC218268 |
Intermediate Similarity | 0.7466 | NPC89490 |
Intermediate Similarity | 0.7466 | NPC473762 |
Intermediate Similarity | 0.7463 | NPC231655 |
Intermediate Similarity | 0.7463 | NPC76540 |
Intermediate Similarity | 0.7452 | NPC33421 |
Intermediate Similarity | 0.7448 | NPC476140 |
Intermediate Similarity | 0.7439 | NPC63751 |
Intermediate Similarity | 0.7432 | NPC101165 |
Intermediate Similarity | 0.7432 | NPC179365 |
Intermediate Similarity | 0.7419 | NPC470440 |
Intermediate Similarity | 0.7419 | NPC204141 |
Intermediate Similarity | 0.7417 | NPC65408 |
Intermediate Similarity | 0.7415 | NPC475105 |
Intermediate Similarity | 0.7415 | NPC475090 |
Intermediate Similarity | 0.7415 | NPC329896 |
Intermediate Similarity | 0.7413 | NPC329825 |
Intermediate Similarity | 0.7407 | NPC282231 |
Intermediate Similarity | 0.7394 | NPC194411 |
Intermediate Similarity | 0.7383 | NPC473930 |
Intermediate Similarity | 0.7378 | NPC160105 |
Intermediate Similarity | 0.7365 | NPC469938 |
Intermediate Similarity | 0.7362 | NPC194640 |
Intermediate Similarity | 0.7362 | NPC40779 |
Intermediate Similarity | 0.7353 | NPC307191 |
Intermediate Similarity | 0.7346 | NPC279918 |
Intermediate Similarity | 0.7346 | NPC229173 |
Intermediate Similarity | 0.7337 | NPC12649 |
Intermediate Similarity | 0.7333 | NPC201700 |
Intermediate Similarity | 0.7329 | NPC316910 |
Intermediate Similarity | 0.7317 | NPC195507 |
Intermediate Similarity | 0.7317 | NPC2165 |
Intermediate Similarity | 0.7315 | NPC471322 |
Intermediate Similarity | 0.7315 | NPC324611 |
Intermediate Similarity | 0.7294 | NPC314919 |
Intermediate Similarity | 0.7284 | NPC475990 |
Intermediate Similarity | 0.7284 | NPC474880 |
Intermediate Similarity | 0.7284 | NPC221786 |
Intermediate Similarity | 0.7278 | NPC59269 |
Intermediate Similarity | 0.7273 | NPC238499 |
TTD   | DIB016758 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 251.14 |
ALogP   | -0.1987 |
MLogP   | 2.89 |
XLogP   | 3.737 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 21.06 |
RO5 Violation   | 0 |