Drug ID:   | NPD3752 |
Drug Name:   | oglemilast |
Molecular Formula:   | C20H13Cl2F2N3O5S |
Canonical SMILES:   | FC(Oc1ccc(c2c1oc1c2cc(cc1)NS(=O)(=O)C)C(=O)N=c1c(Cl)c[nH]cc1Cl)F |
Standard InCHI:   | InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28) |
Standard InCHIKey:   | OKFDRAHPFKMAJH-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 |
---|---|---|
Intermediate Similarity | 0.7 | NPC222561 |
Remote Similarity | 0.6853 | NPC308943 |
Remote Similarity | 0.6797 | NPC207971 |
Remote Similarity | 0.6793 | NPC298449 |
Remote Similarity | 0.6793 | NPC55470 |
Remote Similarity | 0.6725 | NPC71124 |
Remote Similarity | 0.6696 | NPC254957 |
Remote Similarity | 0.6696 | NPC5374 |
Remote Similarity | 0.6695 | NPC268077 |
Remote Similarity | 0.6695 | NPC38961 |
Remote Similarity | 0.6681 | NPC100573 |
Remote Similarity | 0.6681 | NPC207873 |
Remote Similarity | 0.6667 | NPC474009 |
Remote Similarity | 0.6635 | NPC58661 |
Remote Similarity | 0.6622 | NPC121400 |
Remote Similarity | 0.661 | NPC90185 |
Remote Similarity | 0.6598 | NPC313327 |
Remote Similarity | 0.6597 | NPC186569 |
Remote Similarity | 0.6597 | NPC61731 |
Remote Similarity | 0.6582 | NPC85661 |
Remote Similarity | 0.6573 | NPC24019 |
Remote Similarity | 0.6568 | NPC157958 |
Remote Similarity | 0.6555 | NPC25961 |
Remote Similarity | 0.6548 | NPC189903 |
Remote Similarity | 0.6548 | NPC182907 |
Remote Similarity | 0.6542 | NPC124658 |
Remote Similarity | 0.6542 | NPC227361 |
Remote Similarity | 0.654 | NPC46679 |
Remote Similarity | 0.6532 | NPC207721 |
Remote Similarity | 0.6517 | NPC329480 |
Remote Similarity | 0.6515 | NPC146976 |
Remote Similarity | 0.6513 | NPC121510 |
Remote Similarity | 0.6513 | NPC171882 |
Remote Similarity | 0.6508 | NPC108342 |
Remote Similarity | 0.6494 | NPC174783 |
Remote Similarity | 0.6494 | NPC108847 |
Remote Similarity | 0.649 | NPC280799 |
Remote Similarity | 0.6489 | NPC318068 |
Remote Similarity | 0.6476 | NPC214629 |
Remote Similarity | 0.6473 | NPC236668 |
Remote Similarity | 0.6471 | NPC119134 |
Remote Similarity | 0.6466 | NPC163867 |
Remote Similarity | 0.6453 | NPC268170 |
Remote Similarity | 0.6444 | NPC323858 |
Remote Similarity | 0.6443 | NPC154922 |
Remote Similarity | 0.6441 | NPC227683 |
Remote Similarity | 0.6432 | NPC91234 |
Remote Similarity | 0.6429 | NPC22481 |
Remote Similarity | 0.6426 | NPC311781 |
Remote Similarity | 0.6422 | NPC153631 |
Remote Similarity | 0.6408 | NPC256422 |
Remote Similarity | 0.6403 | NPC90875 |
Remote Similarity | 0.6398 | NPC67346 |
Remote Similarity | 0.6397 | NPC210434 |
Remote Similarity | 0.6395 | NPC124313 |
Remote Similarity | 0.6392 | NPC166722 |
Remote Similarity | 0.6389 | NPC233334 |
Remote Similarity | 0.6387 | NPC126211 |
Remote Similarity | 0.6385 | NPC270515 |
Remote Similarity | 0.6381 | NPC84164 |
Remote Similarity | 0.6381 | NPC207283 |
Remote Similarity | 0.6379 | NPC290227 |
Remote Similarity | 0.6375 | NPC475133 |
Remote Similarity | 0.6371 | NPC120239 |
Remote Similarity | 0.6371 | NPC255861 |
Remote Similarity | 0.6371 | NPC93574 |
Remote Similarity | 0.6368 | NPC472894 |
Remote Similarity | 0.6368 | NPC67978 |
Remote Similarity | 0.6368 | NPC303581 |
Remote Similarity | 0.6367 | NPC41501 |
Remote Similarity | 0.636 | NPC116007 |
Remote Similarity | 0.6356 | NPC283810 |
Remote Similarity | 0.6353 | NPC191489 |
Remote Similarity | 0.6352 | NPC470023 |
Remote Similarity | 0.6352 | NPC240684 |
Remote Similarity | 0.6349 | NPC217176 |
Remote Similarity | 0.6347 | NPC228501 |
Remote Similarity | 0.6344 | NPC115906 |
Remote Similarity | 0.6342 | NPC210296 |
Remote Similarity | 0.6339 | NPC476220 |
Remote Similarity | 0.6339 | NPC4669 |
Remote Similarity | 0.6339 | NPC160113 |
Remote Similarity | 0.6339 | NPC315631 |
Remote Similarity | 0.6339 | NPC253675 |
Remote Similarity | 0.6329 | NPC140577 |
Remote Similarity | 0.6329 | NPC43069 |
Remote Similarity | 0.6327 | NPC260118 |
Remote Similarity | 0.6327 | NPC472163 |
Remote Similarity | 0.6318 | NPC113455 |
Remote Similarity | 0.6318 | NPC476569 |
Remote Similarity | 0.6316 | NPC129897 |
Remote Similarity | 0.6311 | NPC308267 |
Remote Similarity | 0.631 | NPC278525 |
Remote Similarity | 0.6309 | NPC469815 |
Remote Similarity | 0.6309 | NPC469816 |
Remote Similarity | 0.6306 | NPC471604 |
Remote Similarity | 0.6303 | NPC473460 |
Remote Similarity | 0.63 | NPC215747 |
Remote Similarity | 0.63 | NPC192939 |
Remote Similarity | 0.6298 | NPC193906 |
Remote Similarity | 0.6298 | NPC23080 |
Remote Similarity | 0.6298 | NPC293624 |
Remote Similarity | 0.6293 | NPC15406 |
Remote Similarity | 0.6292 | NPC89549 |
Remote Similarity | 0.629 | NPC109238 |
Remote Similarity | 0.6289 | NPC6786 |
Remote Similarity | 0.6288 | NPC83511 |
Remote Similarity | 0.6284 | NPC1608 |
Remote Similarity | 0.6283 | NPC132385 |
Remote Similarity | 0.6283 | NPC265383 |
Remote Similarity | 0.6283 | NPC85613 |
Remote Similarity | 0.6283 | NPC5167 |
Remote Similarity | 0.6283 | NPC222524 |
Remote Similarity | 0.6282 | NPC477258 |
Remote Similarity | 0.6277 | NPC208890 |
Remote Similarity | 0.6276 | NPC475147 |
Remote Similarity | 0.6274 | NPC183537 |
Remote Similarity | 0.6273 | NPC250076 |
Remote Similarity | 0.6267 | NPC60211 |
Remote Similarity | 0.6264 | NPC303374 |
Remote Similarity | 0.6261 | NPC97086 |
Remote Similarity | 0.6259 | NPC100734 |
Remote Similarity | 0.6259 | NPC88923 |
Remote Similarity | 0.6259 | NPC315634 |
Remote Similarity | 0.6255 | NPC220241 |
Remote Similarity | 0.6255 | NPC295479 |
Remote Similarity | 0.6245 | NPC313886 |
Remote Similarity | 0.6245 | NPC28425 |
Remote Similarity | 0.624 | NPC46990 |
Remote Similarity | 0.624 | NPC476258 |
Remote Similarity | 0.624 | NPC304837 |
Remote Similarity | 0.6235 | NPC195120 |
Remote Similarity | 0.6234 | NPC477259 |
Remote Similarity | 0.6234 | NPC169387 |
Remote Similarity | 0.6231 | NPC188400 |
Remote Similarity | 0.623 | NPC10732 |
Remote Similarity | 0.6228 | NPC27887 |
Remote Similarity | 0.6224 | NPC16249 |
Remote Similarity | 0.6223 | NPC196231 |
Remote Similarity | 0.622 | NPC227033 |
Remote Similarity | 0.622 | NPC38964 |
Remote Similarity | 0.6215 | NPC231924 |
Remote Similarity | 0.6213 | NPC125924 |
Remote Similarity | 0.6212 | NPC137353 |
Remote Similarity | 0.6212 | NPC77878 |
Remote Similarity | 0.6211 | NPC35680 |
Remote Similarity | 0.621 | NPC80489 |
Remote Similarity | 0.621 | NPC268008 |
Remote Similarity | 0.621 | NPC3273 |
Remote Similarity | 0.6208 | NPC473422 |
Remote Similarity | 0.6207 | NPC296742 |
Remote Similarity | 0.6205 | NPC86469 |
Remote Similarity | 0.6201 | NPC119579 |
Remote Similarity | 0.6192 | NPC243483 |
Remote Similarity | 0.6192 | NPC232533 |
Remote Similarity | 0.619 | NPC470018 |
Remote Similarity | 0.619 | NPC180253 |
Remote Similarity | 0.619 | NPC219170 |
Remote Similarity | 0.6186 | NPC66909 |
Remote Similarity | 0.6186 | NPC470021 |
Remote Similarity | 0.6186 | NPC281629 |
Remote Similarity | 0.6185 | NPC476069 |
Remote Similarity | 0.6185 | NPC230683 |
Remote Similarity | 0.6183 | NPC477161 |
Remote Similarity | 0.6178 | NPC168922 |
Remote Similarity | 0.6174 | NPC276060 |
Remote Similarity | 0.6174 | NPC203373 |
Remote Similarity | 0.6174 | NPC49184 |
Remote Similarity | 0.6169 | NPC82056 |
Remote Similarity | 0.6169 | NPC87560 |
Remote Similarity | 0.6168 | NPC473639 |
Remote Similarity | 0.6167 | NPC41216 |
Remote Similarity | 0.6164 | NPC224293 |
Remote Similarity | 0.6164 | NPC57512 |
Remote Similarity | 0.6161 | NPC284842 |
Remote Similarity | 0.616 | NPC73020 |
Remote Similarity | 0.616 | NPC46744 |
Remote Similarity | 0.616 | NPC17677 |
Remote Similarity | 0.616 | NPC14622 |
Remote Similarity | 0.616 | NPC124302 |
Remote Similarity | 0.616 | NPC70290 |
Remote Similarity | 0.616 | NPC215098 |
Remote Similarity | 0.6157 | NPC478189 |
Remote Similarity | 0.6157 | NPC311936 |
Remote Similarity | 0.6154 | NPC472358 |
Remote Similarity | 0.6151 | NPC67401 |
Remote Similarity | 0.6151 | NPC9482 |
Remote Similarity | 0.6148 | NPC208898 |
Remote Similarity | 0.6148 | NPC470020 |
Remote Similarity | 0.6144 | NPC308895 |
Remote Similarity | 0.6143 | NPC306669 |
Remote Similarity | 0.6142 | NPC246381 |
Remote Similarity | 0.614 | NPC470019 |
Remote Similarity | 0.6138 | NPC268223 |
Remote Similarity | 0.6137 | NPC112676 |
Remote Similarity | 0.6136 | NPC93653 |
Remote Similarity | 0.6135 | NPC251071 |
Remote Similarity | 0.6129 | NPC126556 |
Remote Similarity | 0.6129 | NPC195636 |
Remote Similarity | 0.6129 | NPC119669 |
TTD   | DIB002837 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 514.99 |
ALogP   | -0.8829 |
MLogP   | 2.23 |
XLogP   | 4.298 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 11 |
TPSA   | 118.38 |
RO5 Violation   | 0 |