Drug ID:   | NPD1683 |
Drug Name:   | Pirlindole |
Molecular Formula:   | C15H18N2 |
Canonical SMILES:   | Cc1ccc2c(c1)c1CCCC3c1n2CCN3 |
Standard InCHI:   | InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3 |
Standard InCHIKey:   | IWVRVEIKCBFZNF-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank; 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 | 0.8929 | NPC325252 |
High Similarity | 0.8873 | NPC88097 |
High Similarity | 0.8857 | NPC198988 |
High Similarity | 0.8716 | NPC33421 |
High Similarity | 0.8618 | NPC56765 |
High Similarity | 0.8581 | NPC21605 |
High Similarity | 0.8562 | NPC20144 |
High Similarity | 0.8543 | NPC476219 |
High Similarity | 0.8531 | NPC218268 |
High Similarity | 0.8511 | NPC179365 |
Intermediate Similarity | 0.8493 | NPC63157 |
Intermediate Similarity | 0.8493 | NPC473868 |
Intermediate Similarity | 0.8446 | NPC204141 |
Intermediate Similarity | 0.8425 | NPC115611 |
Intermediate Similarity | 0.8425 | NPC59084 |
Intermediate Similarity | 0.8425 | NPC2949 |
Intermediate Similarity | 0.8421 | NPC476297 |
Intermediate Similarity | 0.838 | NPC475450 |
Intermediate Similarity | 0.8377 | NPC221786 |
Intermediate Similarity | 0.8377 | NPC206819 |
Intermediate Similarity | 0.8377 | NPC475990 |
Intermediate Similarity | 0.8377 | NPC474880 |
Intermediate Similarity | 0.8377 | NPC318065 |
Intermediate Similarity | 0.8369 | NPC473587 |
Intermediate Similarity | 0.8356 | NPC73767 |
Intermediate Similarity | 0.8345 | NPC251722 |
Intermediate Similarity | 0.8345 | NPC314102 |
Intermediate Similarity | 0.8333 | NPC90723 |
Intermediate Similarity | 0.8323 | NPC44773 |
Intermediate Similarity | 0.8323 | NPC215584 |
Intermediate Similarity | 0.8322 | NPC470440 |
Intermediate Similarity | 0.831 | NPC22079 |
Intermediate Similarity | 0.831 | NPC475428 |
Intermediate Similarity | 0.8298 | NPC473762 |
Intermediate Similarity | 0.8278 | NPC321911 |
Intermediate Similarity | 0.8273 | NPC122718 |
Intermediate Similarity | 0.8248 | NPC215519 |
Intermediate Similarity | 0.8235 | NPC325903 |
Intermediate Similarity | 0.8231 | NPC110126 |
Intermediate Similarity | 0.8231 | NPC104483 |
Intermediate Similarity | 0.8224 | NPC40070 |
Intermediate Similarity | 0.8219 | NPC84911 |
Intermediate Similarity | 0.8212 | NPC179787 |
Intermediate Similarity | 0.8212 | NPC469811 |
Intermediate Similarity | 0.8212 | NPC201380 |
Intermediate Similarity | 0.8205 | NPC229173 |
Intermediate Similarity | 0.8194 | NPC473930 |
Intermediate Similarity | 0.8176 | NPC469761 |
Intermediate Similarity | 0.8176 | NPC469783 |
Intermediate Similarity | 0.8176 | NPC469767 |
Intermediate Similarity | 0.8176 | NPC469784 |
Intermediate Similarity | 0.8176 | NPC469779 |
Intermediate Similarity | 0.8176 | NPC469768 |
Intermediate Similarity | 0.8176 | NPC469780 |
Intermediate Similarity | 0.8163 | NPC169433 |
Intermediate Similarity | 0.8156 | NPC250361 |
Intermediate Similarity | 0.8151 | NPC261195 |
Intermediate Similarity | 0.8151 | NPC96102 |
Intermediate Similarity | 0.8151 | NPC29886 |
Intermediate Similarity | 0.8146 | NPC63545 |
Intermediate Similarity | 0.8141 | NPC41257 |
Intermediate Similarity | 0.8121 | NPC469766 |
Intermediate Similarity | 0.8095 | NPC105127 |
Intermediate Similarity | 0.8077 | NPC286427 |
Intermediate Similarity | 0.8054 | NPC284635 |
Intermediate Similarity | 0.8029 | NPC81561 |
Intermediate Similarity | 0.8012 | NPC194411 |
Intermediate Similarity | 0.8 | NPC41174 |
Intermediate Similarity | 0.7987 | NPC53947 |
Intermediate Similarity | 0.7987 | NPC271797 |
Intermediate Similarity | 0.7987 | NPC312092 |
Intermediate Similarity | 0.7987 | NPC21174 |
Intermediate Similarity | 0.7973 | NPC150259 |
Intermediate Similarity | 0.7971 | NPC54102 |
Intermediate Similarity | 0.7971 | NPC162689 |
Intermediate Similarity | 0.7961 | NPC314372 |
Intermediate Similarity | 0.7956 | NPC148140 |
Intermediate Similarity | 0.7949 | NPC38736 |
Intermediate Similarity | 0.7947 | NPC190296 |
Intermediate Similarity | 0.7935 | NPC470233 |
Intermediate Similarity | 0.7933 | NPC279081 |
Intermediate Similarity | 0.7911 | NPC6436 |
Intermediate Similarity | 0.7908 | NPC288838 |
Intermediate Similarity | 0.7901 | NPC474897 |
Intermediate Similarity | 0.7898 | NPC51054 |
Intermediate Similarity | 0.7877 | NPC82295 |
Intermediate Similarity | 0.7875 | NPC317105 |
Intermediate Similarity | 0.7866 | NPC37423 |
Intermediate Similarity | 0.7866 | NPC275305 |
Intermediate Similarity | 0.7862 | NPC255229 |
Intermediate Similarity | 0.7862 | NPC470204 |
Intermediate Similarity | 0.7862 | NPC122141 |
Intermediate Similarity | 0.7862 | NPC81229 |
Intermediate Similarity | 0.7857 | NPC477134 |
Intermediate Similarity | 0.7857 | NPC470111 |
Intermediate Similarity | 0.7852 | NPC125746 |
Intermediate Similarity | 0.7848 | NPC236711 |
Intermediate Similarity | 0.7826 | NPC2165 |
Intermediate Similarity | 0.7826 | NPC195507 |
Intermediate Similarity | 0.7818 | NPC280852 |
Intermediate Similarity | 0.7815 | NPC230002 |
Intermediate Similarity | 0.7812 | NPC470203 |
Intermediate Similarity | 0.7808 | NPC282398 |
Intermediate Similarity | 0.7806 | NPC124005 |
Intermediate Similarity | 0.7792 | NPC143872 |
Intermediate Similarity | 0.7771 | NPC200214 |
Intermediate Similarity | 0.7771 | NPC68354 |
Intermediate Similarity | 0.7764 | NPC247987 |
Intermediate Similarity | 0.7758 | NPC329688 |
Intermediate Similarity | 0.7758 | NPC189812 |
Intermediate Similarity | 0.7756 | NPC105818 |
Intermediate Similarity | 0.7756 | NPC24678 |
Intermediate Similarity | 0.7742 | NPC471957 |
Intermediate Similarity | 0.7736 | NPC216643 |
Intermediate Similarity | 0.773 | NPC317430 |
Intermediate Similarity | 0.7727 | NPC159856 |
Intermediate Similarity | 0.7727 | NPC469525 |
Intermediate Similarity | 0.7725 | NPC215795 |
Intermediate Similarity | 0.7725 | NPC176199 |
Intermediate Similarity | 0.7702 | NPC225018 |
Intermediate Similarity | 0.7702 | NPC16667 |
Intermediate Similarity | 0.7702 | NPC194881 |
Intermediate Similarity | 0.7698 | NPC476566 |
Intermediate Similarity | 0.7697 | NPC161861 |
Intermediate Similarity | 0.7697 | NPC472123 |
Intermediate Similarity | 0.7692 | NPC472110 |
Intermediate Similarity | 0.7692 | NPC2272 |
Intermediate Similarity | 0.7692 | NPC37548 |
Intermediate Similarity | 0.7692 | NPC46358 |
Intermediate Similarity | 0.7692 | NPC472109 |
Intermediate Similarity | 0.7692 | NPC187951 |
Intermediate Similarity | 0.7677 | NPC478186 |
Intermediate Similarity | 0.7673 | NPC184476 |
Intermediate Similarity | 0.7658 | NPC469786 |
Intermediate Similarity | 0.7658 | NPC25008 |
Intermediate Similarity | 0.7658 | NPC259644 |
Intermediate Similarity | 0.7658 | NPC469765 |
Intermediate Similarity | 0.7658 | NPC469763 |
Intermediate Similarity | 0.7658 | NPC469760 |
Intermediate Similarity | 0.7658 | NPC73952 |
Intermediate Similarity | 0.7654 | NPC478182 |
Intermediate Similarity | 0.7654 | NPC478184 |
Intermediate Similarity | 0.7639 | NPC27740 |
Intermediate Similarity | 0.7636 | NPC82331 |
Intermediate Similarity | 0.761 | NPC80597 |
Intermediate Similarity | 0.761 | NPC212376 |
Intermediate Similarity | 0.761 | NPC70922 |
Intermediate Similarity | 0.761 | NPC211572 |
Intermediate Similarity | 0.761 | NPC34844 |
Intermediate Similarity | 0.761 | NPC75540 |
Intermediate Similarity | 0.7605 | NPC474958 |
Intermediate Similarity | 0.7595 | NPC470823 |
Intermediate Similarity | 0.7588 | NPC19679 |
Intermediate Similarity | 0.7578 | NPC477591 |
Intermediate Similarity | 0.7578 | NPC135141 |
Intermediate Similarity | 0.7578 | NPC92796 |
Intermediate Similarity | 0.7578 | NPC293487 |
Intermediate Similarity | 0.7576 | NPC280548 |
Intermediate Similarity | 0.7564 | NPC129042 |
Intermediate Similarity | 0.7562 | NPC476464 |
Intermediate Similarity | 0.7548 | NPC242556 |
Intermediate Similarity | 0.7547 | NPC281094 |
Intermediate Similarity | 0.7547 | NPC141926 |
Intermediate Similarity | 0.7546 | NPC271734 |
Intermediate Similarity | 0.7546 | NPC472587 |
Intermediate Similarity | 0.7544 | NPC472294 |
Intermediate Similarity | 0.7543 | NPC316018 |
Intermediate Similarity | 0.7543 | NPC315617 |
Intermediate Similarity | 0.7543 | NPC314058 |
Intermediate Similarity | 0.7543 | NPC316359 |
Intermediate Similarity | 0.753 | NPC201634 |
Intermediate Similarity | 0.7529 | NPC95783 |
Intermediate Similarity | 0.7515 | NPC63751 |
Intermediate Similarity | 0.75 | NPC470507 |
Intermediate Similarity | 0.75 | NPC274229 |
Intermediate Similarity | 0.7485 | NPC470205 |
Intermediate Similarity | 0.7485 | NPC282231 |
Intermediate Similarity | 0.7484 | NPC216713 |
Intermediate Similarity | 0.7469 | NPC67056 |
Intermediate Similarity | 0.7468 | NPC238499 |
Intermediate Similarity | 0.7466 | NPC166424 |
Intermediate Similarity | 0.7466 | NPC245244 |
Intermediate Similarity | 0.7466 | NPC146373 |
Intermediate Similarity | 0.7455 | NPC49954 |
Intermediate Similarity | 0.7455 | NPC474561 |
Intermediate Similarity | 0.7453 | NPC285469 |
Intermediate Similarity | 0.7453 | NPC469785 |
Intermediate Similarity | 0.7439 | NPC194640 |
Intermediate Similarity | 0.7438 | NPC200743 |
Intermediate Similarity | 0.7431 | NPC265605 |
Intermediate Similarity | 0.7431 | NPC48564 |
Intermediate Similarity | 0.7431 | NPC182570 |
Intermediate Similarity | 0.7425 | NPC6982 |
Intermediate Similarity | 0.7423 | NPC473320 |
Intermediate Similarity | 0.7423 | NPC279918 |
Intermediate Similarity | 0.7421 | NPC148592 |
Intermediate Similarity | 0.7412 | NPC11126 |
Intermediate Similarity | 0.741 | NPC201700 |
Intermediate Similarity | 0.7407 | NPC129721 |
Intermediate Similarity | 0.7407 | NPC469762 |
TTD   | |
DrugBank   | DB09244 |
ChEMBL   | CHEMBL32350 |
IUPHAR/BPS   | 6638 |
PharmaGKB   | |
KEGG Drug   | D08392 |
PubChem CID   | |
ChEBI   | 91755 |
CAS Number   | 60762-57-4 |
Molecular Weight   | 226.15 |
ALogP   | -0.306 |
MLogP   | 2.89 |
XLogP   | 3.08 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 16.96 |
RO5 Violation   | 0 |