Drug ID:   | NPD947 |
Drug Name:   | Proflavine |
Molecular Formula:   | C13H11N3 |
Canonical SMILES:   | Nc1ccc2c(c1)nc1c(c2)ccc(c1)N |
Standard InCHI:   | InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2 |
Standard InCHIKey:   | WDVSHHCDHLJJJR-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | 0.9098 | NPC162689 |
High Similarity | 0.9098 | NPC54102 |
High Similarity | 0.8968 | NPC122718 |
High Similarity | 0.88 | NPC215519 |
High Similarity | 0.878 | NPC148140 |
High Similarity | 0.871 | NPC81561 |
High Similarity | 0.8676 | NPC284635 |
High Similarity | 0.8538 | NPC250361 |
Intermediate Similarity | 0.8496 | NPC179365 |
Intermediate Similarity | 0.8409 | NPC473762 |
Intermediate Similarity | 0.8346 | NPC473587 |
Intermediate Similarity | 0.8321 | NPC314102 |
Intermediate Similarity | 0.8321 | NPC251722 |
Intermediate Similarity | 0.8296 | NPC473930 |
Intermediate Similarity | 0.8284 | NPC475428 |
Intermediate Similarity | 0.8231 | NPC41174 |
Intermediate Similarity | 0.8222 | NPC475450 |
Intermediate Similarity | 0.8175 | NPC198988 |
Intermediate Similarity | 0.8148 | NPC22079 |
Intermediate Similarity | 0.8143 | NPC115611 |
Intermediate Similarity | 0.8129 | NPC169433 |
Intermediate Similarity | 0.8116 | NPC325252 |
Intermediate Similarity | 0.8071 | NPC88097 |
Intermediate Similarity | 0.8049 | NPC302790 |
Intermediate Similarity | 0.803 | NPC46358 |
Intermediate Similarity | 0.8014 | NPC59084 |
Intermediate Similarity | 0.7985 | NPC476140 |
Intermediate Similarity | 0.7958 | NPC473868 |
Intermediate Similarity | 0.7958 | NPC63157 |
Intermediate Similarity | 0.7943 | NPC312092 |
Intermediate Similarity | 0.7931 | NPC21605 |
Intermediate Similarity | 0.7887 | NPC2949 |
Intermediate Similarity | 0.7883 | NPC282398 |
Intermediate Similarity | 0.7823 | NPC33421 |
Intermediate Similarity | 0.7801 | NPC105127 |
Intermediate Similarity | 0.7752 | NPC143156 |
Intermediate Similarity | 0.774 | NPC63545 |
Intermediate Similarity | 0.773 | NPC96102 |
Intermediate Similarity | 0.773 | NPC218268 |
Intermediate Similarity | 0.7718 | NPC325903 |
Intermediate Similarity | 0.7712 | NPC317105 |
Intermediate Similarity | 0.7697 | NPC44773 |
Intermediate Similarity | 0.7697 | NPC215584 |
Intermediate Similarity | 0.7692 | NPC110126 |
Intermediate Similarity | 0.7687 | NPC179787 |
Intermediate Similarity | 0.7687 | NPC201380 |
Intermediate Similarity | 0.7687 | NPC469811 |
Intermediate Similarity | 0.7676 | NPC84911 |
Intermediate Similarity | 0.7676 | NPC125746 |
Intermediate Similarity | 0.7671 | NPC470440 |
Intermediate Similarity | 0.7671 | NPC204141 |
Intermediate Similarity | 0.7671 | NPC86288 |
Intermediate Similarity | 0.7667 | NPC476219 |
Intermediate Similarity | 0.7635 | NPC321911 |
Intermediate Similarity | 0.7619 | NPC288838 |
Intermediate Similarity | 0.7606 | NPC261195 |
Intermediate Similarity | 0.7606 | NPC29886 |
Intermediate Similarity | 0.7571 | NPC82295 |
Intermediate Similarity | 0.7569 | NPC104483 |
Intermediate Similarity | 0.7569 | NPC73767 |
Intermediate Similarity | 0.7568 | NPC477134 |
Intermediate Similarity | 0.755 | NPC476297 |
Intermediate Similarity | 0.7534 | NPC20144 |
Intermediate Similarity | 0.7519 | NPC91958 |
Intermediate Similarity | 0.7518 | NPC146373 |
Intermediate Similarity | 0.7518 | NPC245244 |
Intermediate Similarity | 0.7518 | NPC166424 |
Intermediate Similarity | 0.7517 | NPC469761 |
Intermediate Similarity | 0.7517 | NPC469767 |
Intermediate Similarity | 0.7517 | NPC124005 |
Intermediate Similarity | 0.7517 | NPC469783 |
Intermediate Similarity | 0.7517 | NPC469768 |
Intermediate Similarity | 0.7517 | NPC279081 |
Intermediate Similarity | 0.7517 | NPC469779 |
Intermediate Similarity | 0.7517 | NPC469780 |
Intermediate Similarity | 0.7517 | NPC469784 |
Intermediate Similarity | 0.7516 | NPC56765 |
Intermediate Similarity | 0.7516 | NPC474880 |
Intermediate Similarity | 0.7516 | NPC475990 |
Intermediate Similarity | 0.7516 | NPC221786 |
Intermediate Similarity | 0.75 | NPC476464 |
Intermediate Similarity | 0.75 | NPC478186 |
Intermediate Similarity | 0.7483 | NPC242556 |
Intermediate Similarity | 0.7483 | NPC161108 |
Intermediate Similarity | 0.7468 | NPC229173 |
Intermediate Similarity | 0.7468 | NPC201634 |
Intermediate Similarity | 0.7467 | NPC53947 |
Intermediate Similarity | 0.7467 | NPC40070 |
Intermediate Similarity | 0.7466 | NPC469766 |
Intermediate Similarity | 0.7421 | NPC252572 |
Intermediate Similarity | 0.7417 | NPC470233 |
Intermediate Similarity | 0.7415 | NPC190296 |
Intermediate Similarity | 0.74 | NPC288445 |
Intermediate Similarity | 0.7398 | NPC213774 |
Intermediate Similarity | 0.7397 | NPC230002 |
Intermediate Similarity | 0.7383 | NPC143872 |
Intermediate Similarity | 0.7368 | NPC138842 |
Intermediate Similarity | 0.7355 | NPC122141 |
Intermediate Similarity | 0.7351 | NPC148592 |
Intermediate Similarity | 0.7338 | NPC236711 |
Intermediate Similarity | 0.7338 | NPC76982 |
Intermediate Similarity | 0.7338 | NPC216643 |
Intermediate Similarity | 0.7333 | NPC470111 |
Intermediate Similarity | 0.7324 | NPC101165 |
Intermediate Similarity | 0.732 | NPC38736 |
Intermediate Similarity | 0.7319 | NPC27740 |
Intermediate Similarity | 0.7315 | NPC159856 |
Intermediate Similarity | 0.7315 | NPC314372 |
Intermediate Similarity | 0.731 | NPC150259 |
Intermediate Similarity | 0.729 | NPC318065 |
Intermediate Similarity | 0.729 | NPC206819 |
Intermediate Similarity | 0.7285 | NPC37548 |
Intermediate Similarity | 0.7279 | NPC238499 |
Intermediate Similarity | 0.7273 | NPC184476 |
Intermediate Similarity | 0.7267 | NPC129042 |
Intermediate Similarity | 0.7267 | NPC297034 |
Intermediate Similarity | 0.7261 | NPC478184 |
Intermediate Similarity | 0.7261 | NPC90723 |
Intermediate Similarity | 0.7259 | NPC143603 |
Intermediate Similarity | 0.7244 | NPC470204 |
Intermediate Similarity | 0.723 | NPC277157 |
Intermediate Similarity | 0.7226 | NPC286427 |
Intermediate Similarity | 0.7219 | NPC471957 |
Intermediate Similarity | 0.7203 | NPC256893 |
Intermediate Similarity | 0.7197 | NPC225018 |
Intermediate Similarity | 0.7197 | NPC470203 |
Intermediate Similarity | 0.7188 | NPC474897 |
Intermediate Similarity | 0.7179 | NPC92796 |
Intermediate Similarity | 0.7179 | NPC135141 |
Intermediate Similarity | 0.7179 | NPC6436 |
Intermediate Similarity | 0.7179 | NPC41257 |
Intermediate Similarity | 0.7171 | NPC2272 |
Intermediate Similarity | 0.716 | NPC471579 |
Intermediate Similarity | 0.716 | NPC189812 |
Intermediate Similarity | 0.716 | NPC329688 |
Intermediate Similarity | 0.7152 | NPC21174 |
Intermediate Similarity | 0.7152 | NPC271797 |
Intermediate Similarity | 0.7134 | NPC473320 |
Intermediate Similarity | 0.7124 | NPC24678 |
Intermediate Similarity | 0.7124 | NPC105818 |
Intermediate Similarity | 0.7115 | NPC26850 |
Intermediate Similarity | 0.7115 | NPC316910 |
Intermediate Similarity | 0.7114 | NPC60553 |
Intermediate Similarity | 0.7107 | NPC2165 |
Intermediate Similarity | 0.7107 | NPC274229 |
Intermediate Similarity | 0.7107 | NPC195507 |
Intermediate Similarity | 0.7101 | NPC182570 |
Intermediate Similarity | 0.7101 | NPC48564 |
Intermediate Similarity | 0.7101 | NPC265605 |
Intermediate Similarity | 0.7097 | NPC471458 |
Intermediate Similarity | 0.7097 | NPC470507 |
Intermediate Similarity | 0.7089 | NPC16667 |
Intermediate Similarity | 0.7086 | NPC285731 |
Intermediate Similarity | 0.7078 | NPC470823 |
Intermediate Similarity | 0.7078 | NPC216713 |
Intermediate Similarity | 0.7073 | NPC237188 |
Intermediate Similarity | 0.707 | NPC293487 |
Intermediate Similarity | 0.707 | NPC474791 |
Intermediate Similarity | 0.7059 | NPC297486 |
Intermediate Similarity | 0.7059 | NPC187951 |
Intermediate Similarity | 0.7059 | NPC240136 |
Intermediate Similarity | 0.7059 | NPC471402 |
Intermediate Similarity | 0.7051 | NPC285469 |
Intermediate Similarity | 0.7051 | NPC141353 |
Intermediate Similarity | 0.7051 | NPC51054 |
Intermediate Similarity | 0.7044 | NPC271734 |
Intermediate Similarity | 0.7044 | NPC162799 |
Intermediate Similarity | 0.7044 | NPC159319 |
Intermediate Similarity | 0.7044 | NPC247987 |
Intermediate Similarity | 0.7042 | NPC278451 |
Intermediate Similarity | 0.7037 | NPC82331 |
Intermediate Similarity | 0.7032 | NPC200214 |
Intermediate Similarity | 0.7032 | NPC141926 |
Intermediate Similarity | 0.7032 | NPC25008 |
Intermediate Similarity | 0.7032 | NPC232798 |
Intermediate Similarity | 0.7032 | NPC469760 |
Intermediate Similarity | 0.7032 | NPC259644 |
Intermediate Similarity | 0.7032 | NPC469763 |
Intermediate Similarity | 0.7032 | NPC469786 |
Intermediate Similarity | 0.7032 | NPC200743 |
Intermediate Similarity | 0.7032 | NPC469765 |
Intermediate Similarity | 0.7032 | NPC73952 |
Intermediate Similarity | 0.7019 | NPC63751 |
Intermediate Similarity | 0.7019 | NPC317430 |
Intermediate Similarity | 0.7014 | NPC69914 |
Intermediate Similarity | 0.7012 | NPC280852 |
Intermediate Similarity | 0.7006 | NPC299594 |
Intermediate Similarity | 0.7 | NPC434 |
Intermediate Similarity | 0.7 | NPC88121 |
Intermediate Similarity | 0.7 | NPC79618 |
Remote Similarity | 0.6993 | NPC114209 |
Remote Similarity | 0.6993 | NPC89490 |
Remote Similarity | 0.6987 | NPC75540 |
Remote Similarity | 0.6987 | NPC212376 |
Remote Similarity | 0.6987 | NPC80597 |
Remote Similarity | 0.6987 | NPC211572 |
Remote Similarity | 0.6987 | NPC70922 |
Remote Similarity | 0.6987 | NPC34844 |
Remote Similarity | 0.6985 | NPC192209 |
Remote Similarity | 0.6985 | NPC476566 |
TTD   | DAP000995 |
DrugBank   | DB01123 |
ChEMBL   | CHEMBL55400 |
IUPHAR/BPS   | |
PharmaGKB   | PA164748742 |
KEGG Drug   | |
PubChem CID   | 7099 |
ChEBI   | 8452 |
CAS Number   | 92-62-6 |
Molecular Weight   | 209.10 |
ALogP   | -1.4998 |
MLogP   | 2.56 |
XLogP   | 2.174 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 2 |
TPSA   | 64.93 |
RO5 Violation   | 0 |