Drug ID:   | NPD1182 |
Drug Name:   | Crisaborole |
Molecular Formula:   | C14H10BNO3 |
Canonical SMILES:   | N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O |
Standard InCHI:   | InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2 |
Standard InCHIKey:   | USZAGAREISWJDP-UHFFFAOYSA-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 | 0.7913 | NPC12987 |
Intermediate Similarity | 0.7913 | NPC474603 |
Intermediate Similarity | 0.7797 | NPC75440 |
Intermediate Similarity | 0.7788 | NPC95755 |
Intermediate Similarity | 0.7787 | NPC301321 |
Intermediate Similarity | 0.7759 | NPC241224 |
Intermediate Similarity | 0.7759 | NPC38079 |
Intermediate Similarity | 0.7759 | NPC108875 |
Intermediate Similarity | 0.775 | NPC266932 |
Intermediate Similarity | 0.7739 | NPC51633 |
Intermediate Similarity | 0.7739 | NPC300166 |
Intermediate Similarity | 0.7712 | NPC258171 |
Intermediate Similarity | 0.7692 | NPC470393 |
Intermediate Similarity | 0.7692 | NPC8302 |
Intermediate Similarity | 0.7672 | NPC192596 |
Intermediate Similarity | 0.7603 | NPC55300 |
Intermediate Similarity | 0.7565 | NPC100870 |
Intermediate Similarity | 0.7565 | NPC471576 |
Intermediate Similarity | 0.7542 | NPC473855 |
Intermediate Similarity | 0.7541 | NPC165646 |
Intermediate Similarity | 0.754 | NPC256369 |
Intermediate Similarity | 0.7521 | NPC475852 |
Intermediate Similarity | 0.752 | NPC86947 |
Intermediate Similarity | 0.75 | NPC57268 |
Intermediate Similarity | 0.75 | NPC172676 |
Intermediate Similarity | 0.75 | NPC290451 |
Intermediate Similarity | 0.75 | NPC321956 |
Intermediate Similarity | 0.75 | NPC127389 |
Intermediate Similarity | 0.75 | NPC126935 |
Intermediate Similarity | 0.75 | NPC216929 |
Intermediate Similarity | 0.75 | NPC312713 |
Intermediate Similarity | 0.75 | NPC65933 |
Intermediate Similarity | 0.748 | NPC263835 |
Intermediate Similarity | 0.7479 | NPC113457 |
Intermediate Similarity | 0.7479 | NPC326801 |
Intermediate Similarity | 0.7477 | NPC177844 |
Intermediate Similarity | 0.7477 | NPC99886 |
Intermediate Similarity | 0.7477 | NPC259134 |
Intermediate Similarity | 0.7477 | NPC8002 |
Intermediate Similarity | 0.7462 | NPC94276 |
Intermediate Similarity | 0.7462 | NPC109822 |
Intermediate Similarity | 0.7459 | NPC296920 |
Intermediate Similarity | 0.7459 | NPC90520 |
Intermediate Similarity | 0.7458 | NPC283546 |
Intermediate Similarity | 0.7458 | NPC292792 |
Intermediate Similarity | 0.7442 | NPC150026 |
Intermediate Similarity | 0.7442 | NPC71090 |
Intermediate Similarity | 0.744 | NPC81067 |
Intermediate Similarity | 0.744 | NPC9341 |
Intermediate Similarity | 0.744 | NPC154256 |
Intermediate Similarity | 0.744 | NPC290470 |
Intermediate Similarity | 0.7438 | NPC82016 |
Intermediate Similarity | 0.7438 | NPC474272 |
Intermediate Similarity | 0.7436 | NPC310905 |
Intermediate Similarity | 0.7436 | NPC12714 |
Intermediate Similarity | 0.7424 | NPC198798 |
Intermediate Similarity | 0.7424 | NPC98745 |
Intermediate Similarity | 0.7417 | NPC227894 |
Intermediate Similarity | 0.7411 | NPC71853 |
Intermediate Similarity | 0.7405 | NPC81641 |
Intermediate Similarity | 0.7402 | NPC234956 |
Intermediate Similarity | 0.7398 | NPC280606 |
Intermediate Similarity | 0.7398 | NPC474920 |
Intermediate Similarity | 0.7395 | NPC128730 |
Intermediate Similarity | 0.7385 | NPC31344 |
Intermediate Similarity | 0.7385 | NPC279379 |
Intermediate Similarity | 0.7385 | NPC317769 |
Intermediate Similarity | 0.7377 | NPC31279 |
Intermediate Similarity | 0.7377 | NPC137685 |
Intermediate Similarity | 0.7373 | NPC305205 |
Intermediate Similarity | 0.7355 | NPC169450 |
Intermediate Similarity | 0.7355 | NPC291837 |
Intermediate Similarity | 0.7355 | NPC241549 |
Intermediate Similarity | 0.7355 | NPC201959 |
Intermediate Similarity | 0.735 | NPC107101 |
Intermediate Similarity | 0.7348 | NPC58607 |
Intermediate Similarity | 0.7348 | NPC262573 |
Intermediate Similarity | 0.7348 | NPC178284 |
Intermediate Similarity | 0.7348 | NPC206882 |
Intermediate Similarity | 0.7348 | NPC191037 |
Intermediate Similarity | 0.7348 | NPC471215 |
Intermediate Similarity | 0.7339 | NPC165106 |
Intermediate Similarity | 0.7339 | NPC26524 |
Intermediate Similarity | 0.7339 | NPC303522 |
Intermediate Similarity | 0.7333 | NPC176971 |
Intermediate Similarity | 0.7328 | NPC74478 |
Intermediate Similarity | 0.7328 | NPC470161 |
Intermediate Similarity | 0.7328 | NPC121783 |
Intermediate Similarity | 0.7328 | NPC256015 |
Intermediate Similarity | 0.7328 | NPC114901 |
Intermediate Similarity | 0.7328 | NPC18449 |
Intermediate Similarity | 0.7328 | NPC293701 |
Intermediate Similarity | 0.7328 | NPC294156 |
Intermediate Similarity | 0.7328 | NPC48990 |
Intermediate Similarity | 0.7328 | NPC34902 |
Intermediate Similarity | 0.7323 | NPC474214 |
Intermediate Similarity | 0.7323 | NPC474040 |
Intermediate Similarity | 0.7323 | NPC74821 |
Intermediate Similarity | 0.7323 | NPC283616 |
Intermediate Similarity | 0.7317 | NPC245552 |
Intermediate Similarity | 0.7317 | NPC255068 |
Intermediate Similarity | 0.7308 | NPC188997 |
Intermediate Similarity | 0.7308 | NPC261661 |
Intermediate Similarity | 0.7302 | NPC316062 |
Intermediate Similarity | 0.7302 | NPC203113 |
Intermediate Similarity | 0.7302 | NPC141090 |
Intermediate Similarity | 0.7295 | NPC127326 |
Intermediate Similarity | 0.7293 | NPC41706 |
Intermediate Similarity | 0.7293 | NPC292056 |
Intermediate Similarity | 0.7293 | NPC147821 |
Intermediate Similarity | 0.7293 | NPC111247 |
Intermediate Similarity | 0.7293 | NPC118787 |
Intermediate Similarity | 0.7293 | NPC163332 |
Intermediate Similarity | 0.7293 | NPC183181 |
Intermediate Similarity | 0.7293 | NPC319625 |
Intermediate Similarity | 0.7288 | NPC307425 |
Intermediate Similarity | 0.7287 | NPC472596 |
Intermediate Similarity | 0.7287 | NPC318357 |
Intermediate Similarity | 0.7287 | NPC475529 |
Intermediate Similarity | 0.728 | NPC87563 |
Intermediate Similarity | 0.728 | NPC470837 |
Intermediate Similarity | 0.728 | NPC228287 |
Intermediate Similarity | 0.728 | NPC161696 |
Intermediate Similarity | 0.728 | NPC180508 |
Intermediate Similarity | 0.7279 | NPC230219 |
Intermediate Similarity | 0.7273 | NPC194519 |
Intermediate Similarity | 0.7273 | NPC151530 |
Intermediate Similarity | 0.7273 | NPC87113 |
Intermediate Similarity | 0.7273 | NPC194034 |
Intermediate Similarity | 0.7273 | NPC157473 |
Intermediate Similarity | 0.7273 | NPC35543 |
Intermediate Similarity | 0.7273 | NPC233320 |
Intermediate Similarity | 0.7266 | NPC295259 |
Intermediate Similarity | 0.7266 | NPC163036 |
Intermediate Similarity | 0.7266 | NPC474320 |
Intermediate Similarity | 0.7258 | NPC115379 |
Intermediate Similarity | 0.7252 | NPC261992 |
Intermediate Similarity | 0.725 | NPC238115 |
Intermediate Similarity | 0.725 | NPC475269 |
Intermediate Similarity | 0.7244 | NPC474933 |
Intermediate Similarity | 0.7244 | NPC293619 |
Intermediate Similarity | 0.7244 | NPC195466 |
Intermediate Similarity | 0.7239 | NPC184733 |
Intermediate Similarity | 0.7239 | NPC11258 |
Intermediate Similarity | 0.7239 | NPC45774 |
Intermediate Similarity | 0.7239 | NPC129570 |
Intermediate Similarity | 0.7239 | NPC47283 |
Intermediate Similarity | 0.7239 | NPC21867 |
Intermediate Similarity | 0.7239 | NPC39064 |
Intermediate Similarity | 0.7239 | NPC282703 |
Intermediate Similarity | 0.7239 | NPC470084 |
Intermediate Similarity | 0.7239 | NPC72529 |
Intermediate Similarity | 0.7239 | NPC128208 |
Intermediate Similarity | 0.7236 | NPC106141 |
Intermediate Similarity | 0.7236 | NPC303521 |
Intermediate Similarity | 0.7236 | NPC25067 |
Intermediate Similarity | 0.7236 | NPC46844 |
Intermediate Similarity | 0.7236 | NPC231251 |
Intermediate Similarity | 0.7236 | NPC88868 |
Intermediate Similarity | 0.7236 | NPC2682 |
Intermediate Similarity | 0.7236 | NPC94045 |
Intermediate Similarity | 0.7231 | NPC193364 |
Intermediate Similarity | 0.7227 | NPC179686 |
Intermediate Similarity | 0.7226 | NPC26394 |
Intermediate Similarity | 0.7222 | NPC303370 |
Intermediate Similarity | 0.7222 | NPC47194 |
Intermediate Similarity | 0.7222 | NPC473264 |
Intermediate Similarity | 0.7222 | NPC473718 |
Intermediate Similarity | 0.7222 | NPC296526 |
Intermediate Similarity | 0.7222 | NPC51345 |
Intermediate Similarity | 0.7222 | NPC475815 |
Intermediate Similarity | 0.7218 | NPC112571 |
Intermediate Similarity | 0.7218 | NPC40352 |
Intermediate Similarity | 0.7218 | NPC213711 |
Intermediate Similarity | 0.7218 | NPC285725 |
Intermediate Similarity | 0.7218 | NPC50683 |
Intermediate Similarity | 0.7217 | NPC471581 |
Intermediate Similarity | 0.7213 | NPC245115 |
Intermediate Similarity | 0.7213 | NPC146530 |
Intermediate Similarity | 0.7213 | NPC309982 |
Intermediate Similarity | 0.7209 | NPC8283 |
Intermediate Similarity | 0.7209 | NPC258979 |
Intermediate Similarity | 0.7209 | NPC344161 |
Intermediate Similarity | 0.7209 | NPC93398 |
Intermediate Similarity | 0.7203 | NPC13755 |
Intermediate Similarity | 0.72 | NPC123175 |
Intermediate Similarity | 0.72 | NPC301735 |
Intermediate Similarity | 0.72 | NPC35344 |
Intermediate Similarity | 0.72 | NPC141003 |
Intermediate Similarity | 0.72 | NPC90903 |
Intermediate Similarity | 0.72 | NPC176730 |
Intermediate Similarity | 0.7197 | NPC270030 |
Intermediate Similarity | 0.7188 | NPC470626 |
Intermediate Similarity | 0.7188 | NPC277460 |
Intermediate Similarity | 0.7185 | NPC285339 |
Intermediate Similarity | 0.7185 | NPC202582 |
Intermediate Similarity | 0.7185 | NPC475875 |
Intermediate Similarity | 0.7185 | NPC86030 |
Intermediate Similarity | 0.7185 | NPC5851 |
Intermediate Similarity | 0.7185 | NPC222004 |
TTD   | |
DrugBank   | DB05219 |
ChEMBL   | CHEMBL484785 |
IUPHAR/BPS   | 9151 |
PharmaGKB   | |
KEGG Drug   | D10873 |
PubChem CID   | |
ChEBI   | 134677 |
CAS Number   | 906673-24-3 |
Molecular Weight   | 251.08 |
ALogP   | -0.7222 |
MLogP   | 2.45 |
XLogP   | 2.68 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 62.48 |
RO5 Violation   | 0 |