Drug ID:   | NPD6162 |
Drug Name:   | Eltrombopag |
Molecular Formula:   | C25H22N4O4 |
Canonical SMILES:   | OC(=O)c1cccc(c1)c1cccc(c1O)N/N=C1/C(=NN(C1=O)c1ccc(c(c1)C)C)C |
Standard InCHI:   | InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22- |
Standard InCHIKey:   | XDXWLKQMMKQXPV-QYQHSDTDSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | 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 |
---|---|---|
Intermediate Similarity | 0.7165 | NPC474815 |
Intermediate Similarity | 0.7064 | NPC51388 |
Intermediate Similarity | 0.7037 | NPC199737 |
Intermediate Similarity | 0.7023 | NPC293151 |
Remote Similarity | 0.6985 | NPC132751 |
Remote Similarity | 0.6948 | NPC9894 |
Remote Similarity | 0.6907 | NPC474814 |
Remote Similarity | 0.6907 | NPC126676 |
Remote Similarity | 0.6907 | NPC112336 |
Remote Similarity | 0.6907 | NPC469671 |
Remote Similarity | 0.6902 | NPC315829 |
Remote Similarity | 0.6893 | NPC316282 |
Remote Similarity | 0.6875 | NPC474701 |
Remote Similarity | 0.6866 | NPC288854 |
Remote Similarity | 0.6852 | NPC118228 |
Remote Similarity | 0.6814 | NPC70340 |
Remote Similarity | 0.6808 | NPC90185 |
Remote Similarity | 0.6796 | NPC181526 |
Remote Similarity | 0.6786 | NPC274640 |
Remote Similarity | 0.6774 | NPC298449 |
Remote Similarity | 0.6769 | NPC471778 |
Remote Similarity | 0.6761 | NPC283117 |
Remote Similarity | 0.6757 | NPC259678 |
Remote Similarity | 0.6745 | NPC133156 |
Remote Similarity | 0.674 | NPC181527 |
Remote Similarity | 0.6736 | NPC292143 |
Remote Similarity | 0.6736 | NPC139506 |
Remote Similarity | 0.6729 | NPC207873 |
Remote Similarity | 0.6729 | NPC100573 |
Remote Similarity | 0.6667 | NPC317727 |
Remote Similarity | 0.6667 | NPC303951 |
Remote Similarity | 0.6651 | NPC39679 |
Remote Similarity | 0.665 | NPC92803 |
Remote Similarity | 0.6649 | NPC189116 |
Remote Similarity | 0.6649 | NPC323798 |
Remote Similarity | 0.6637 | NPC144452 |
Remote Similarity | 0.6636 | NPC294375 |
Remote Similarity | 0.6636 | NPC23294 |
Remote Similarity | 0.6634 | NPC18890 |
Remote Similarity | 0.6634 | NPC470317 |
Remote Similarity | 0.6623 | NPC132329 |
Remote Similarity | 0.6612 | NPC314252 |
Remote Similarity | 0.6612 | NPC242933 |
Remote Similarity | 0.6606 | NPC184408 |
Remote Similarity | 0.6605 | NPC222561 |
Remote Similarity | 0.6592 | NPC280799 |
Remote Similarity | 0.6591 | NPC3207 |
Remote Similarity | 0.657 | NPC475411 |
Remote Similarity | 0.6567 | NPC475844 |
Remote Similarity | 0.655 | NPC471743 |
Remote Similarity | 0.6541 | NPC472241 |
Remote Similarity | 0.6524 | NPC472242 |
Remote Similarity | 0.6522 | NPC472243 |
Remote Similarity | 0.6522 | NPC204156 |
Remote Similarity | 0.6522 | NPC144381 |
Remote Similarity | 0.6522 | NPC313293 |
Remote Similarity | 0.652 | NPC471742 |
Remote Similarity | 0.6508 | NPC237649 |
Remote Similarity | 0.6508 | NPC300596 |
Remote Similarity | 0.6507 | NPC230403 |
Remote Similarity | 0.6507 | NPC45850 |
Remote Similarity | 0.6507 | NPC474688 |
Remote Similarity | 0.6498 | NPC86834 |
Remote Similarity | 0.6498 | NPC210828 |
Remote Similarity | 0.6495 | NPC103250 |
Remote Similarity | 0.6484 | NPC87413 |
Remote Similarity | 0.6483 | NPC208522 |
Remote Similarity | 0.6474 | NPC241392 |
Remote Similarity | 0.6474 | NPC144691 |
Remote Similarity | 0.6473 | NPC246700 |
Remote Similarity | 0.6473 | NPC174760 |
Remote Similarity | 0.6473 | NPC225279 |
Remote Similarity | 0.6452 | NPC470090 |
Remote Similarity | 0.6448 | NPC122542 |
Remote Similarity | 0.6445 | NPC303214 |
Remote Similarity | 0.6439 | NPC469829 |
Remote Similarity | 0.6438 | NPC25961 |
Remote Similarity | 0.6429 | NPC191863 |
Remote Similarity | 0.6429 | NPC475983 |
Remote Similarity | 0.6429 | NPC289776 |
Remote Similarity | 0.6429 | NPC133470 |
Remote Similarity | 0.6425 | NPC39500 |
Remote Similarity | 0.6425 | NPC206186 |
Remote Similarity | 0.6425 | NPC31700 |
Remote Similarity | 0.6414 | NPC182131 |
Remote Similarity | 0.6413 | NPC316574 |
Remote Similarity | 0.6404 | NPC474041 |
Remote Similarity | 0.64 | NPC150239 |
Remote Similarity | 0.6396 | NPC204867 |
Remote Similarity | 0.6394 | NPC183805 |
Remote Similarity | 0.6386 | NPC475607 |
Remote Similarity | 0.6378 | NPC27904 |
Remote Similarity | 0.6377 | NPC150308 |
Remote Similarity | 0.6376 | NPC308943 |
Remote Similarity | 0.6372 | NPC232600 |
Remote Similarity | 0.6368 | NPC73280 |
Remote Similarity | 0.6368 | NPC170333 |
Remote Similarity | 0.6364 | NPC474059 |
Remote Similarity | 0.636 | NPC179287 |
Remote Similarity | 0.6355 | NPC474081 |
Remote Similarity | 0.6351 | NPC250448 |
Remote Similarity | 0.6346 | NPC473815 |
Remote Similarity | 0.6345 | NPC160898 |
Remote Similarity | 0.6344 | NPC47986 |
Remote Similarity | 0.6344 | NPC251071 |
Remote Similarity | 0.6341 | NPC73555 |
Remote Similarity | 0.6339 | NPC169402 |
Remote Similarity | 0.6338 | NPC153042 |
Remote Similarity | 0.6337 | NPC303225 |
Remote Similarity | 0.6337 | NPC475594 |
Remote Similarity | 0.6332 | NPC470018 |
Remote Similarity | 0.633 | NPC300156 |
Remote Similarity | 0.6329 | NPC313886 |
Remote Similarity | 0.6324 | NPC43218 |
Remote Similarity | 0.6324 | NPC287358 |
Remote Similarity | 0.6323 | NPC55470 |
Remote Similarity | 0.6316 | NPC477998 |
Remote Similarity | 0.6316 | NPC128751 |
Remote Similarity | 0.6316 | NPC146370 |
Remote Similarity | 0.6311 | NPC247803 |
Remote Similarity | 0.6308 | NPC477889 |
Remote Similarity | 0.6308 | NPC132874 |
Remote Similarity | 0.6308 | NPC218733 |
Remote Similarity | 0.6308 | NPC138615 |
Remote Similarity | 0.6308 | NPC265642 |
Remote Similarity | 0.6306 | NPC38237 |
Remote Similarity | 0.6304 | NPC74575 |
Remote Similarity | 0.6301 | NPC4687 |
Remote Similarity | 0.63 | NPC33507 |
Remote Similarity | 0.6298 | NPC6786 |
Remote Similarity | 0.6298 | NPC160381 |
Remote Similarity | 0.6295 | NPC322064 |
Remote Similarity | 0.6293 | NPC477112 |
Remote Similarity | 0.629 | NPC474366 |
Remote Similarity | 0.6286 | NPC106833 |
Remote Similarity | 0.6286 | NPC471196 |
Remote Similarity | 0.6286 | NPC5630 |
Remote Similarity | 0.6286 | NPC471195 |
Remote Similarity | 0.6286 | NPC469497 |
Remote Similarity | 0.6281 | NPC67401 |
Remote Similarity | 0.628 | NPC190007 |
Remote Similarity | 0.6278 | NPC471741 |
Remote Similarity | 0.6277 | NPC301702 |
Remote Similarity | 0.6275 | NPC315631 |
Remote Similarity | 0.6272 | NPC478141 |
Remote Similarity | 0.6266 | NPC49547 |
Remote Similarity | 0.6264 | NPC314098 |
Remote Similarity | 0.6263 | NPC476231 |
Remote Similarity | 0.6261 | NPC187501 |
Remote Similarity | 0.6257 | NPC205946 |
Remote Similarity | 0.6256 | NPC203628 |
Remote Similarity | 0.6256 | NPC95412 |
Remote Similarity | 0.6256 | NPC28510 |
Remote Similarity | 0.6255 | NPC473187 |
Remote Similarity | 0.625 | NPC253476 |
Remote Similarity | 0.625 | NPC477391 |
Remote Similarity | 0.625 | NPC94943 |
Remote Similarity | 0.625 | NPC116238 |
Remote Similarity | 0.6244 | NPC274002 |
Remote Similarity | 0.6244 | NPC284102 |
Remote Similarity | 0.6244 | NPC472331 |
Remote Similarity | 0.6244 | NPC126515 |
Remote Similarity | 0.6244 | NPC475761 |
Remote Similarity | 0.6234 | NPC142385 |
Remote Similarity | 0.6232 | NPC243058 |
Remote Similarity | 0.6232 | NPC469831 |
Remote Similarity | 0.623 | NPC478039 |
Remote Similarity | 0.6225 | NPC132385 |
Remote Similarity | 0.6224 | NPC218388 |
Remote Similarity | 0.6223 | NPC43477 |
Remote Similarity | 0.6222 | NPC476161 |
Remote Similarity | 0.6221 | NPC469732 |
Remote Similarity | 0.6221 | NPC471944 |
Remote Similarity | 0.622 | NPC194040 |
Remote Similarity | 0.6215 | NPC470023 |
Remote Similarity | 0.6214 | NPC271792 |
Remote Similarity | 0.6214 | NPC39822 |
Remote Similarity | 0.6209 | NPC472245 |
Remote Similarity | 0.6204 | NPC280714 |
Remote Similarity | 0.6202 | NPC203635 |
Remote Similarity | 0.6196 | NPC244866 |
Remote Similarity | 0.6193 | NPC1464 |
Remote Similarity | 0.6188 | NPC220337 |
Remote Similarity | 0.6186 | NPC470021 |
Remote Similarity | 0.6184 | NPC472163 |
Remote Similarity | 0.6182 | NPC225400 |
Remote Similarity | 0.6178 | NPC176113 |
Remote Similarity | 0.6175 | NPC120251 |
Remote Similarity | 0.6172 | NPC49184 |
Remote Similarity | 0.6171 | NPC171882 |
Remote Similarity | 0.6171 | NPC121510 |
Remote Similarity | 0.6171 | NPC85661 |
Remote Similarity | 0.6168 | NPC181502 |
Remote Similarity | 0.6168 | NPC85066 |
Remote Similarity | 0.6168 | NPC276517 |
Remote Similarity | 0.6168 | NPC146724 |
Remote Similarity | 0.6162 | NPC91615 |
Remote Similarity | 0.6158 | NPC83241 |
Remote Similarity | 0.6157 | NPC306376 |
Remote Similarity | 0.6154 | NPC215747 |
TTD   | |
DrugBank   | DB06210 |
ChEMBL   | CHEMBL461101 |
IUPHAR/BPS   | 6961 |
PharmaGKB   | |
KEGG Drug   | D03978 |
PubChem CID   | |
ChEBI   | 85010 |
CAS Number   | 496775-61-2 |
Molecular Weight   | 442.16 |
ALogP   | -0.6726 |
MLogP   | 3.33 |
XLogP   | 7.388 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 114.59 |
RO5 Violation   | 1 |