Drug ID:   | NPD5025 |
Drug Name:   | Apremilast |
Molecular Formula:   | C22H24N2O7S |
Canonical SMILES:   | CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)c(ccc2)N=C(O)C)CS(=O)(=O)C |
Standard InCHI:   | InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1 |
Standard InCHIKey:   | IMOZEMNVLZVGJZ-QGZVFWFLSA-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 | 0.7981 | NPC313327 |
Intermediate Similarity | 0.7583 | NPC207971 |
Intermediate Similarity | 0.7547 | NPC268077 |
Intermediate Similarity | 0.7442 | NPC207873 |
Intermediate Similarity | 0.7442 | NPC100573 |
Intermediate Similarity | 0.7429 | NPC71124 |
Intermediate Similarity | 0.7395 | NPC16249 |
Intermediate Similarity | 0.7383 | NPC163829 |
Intermediate Similarity | 0.734 | NPC270301 |
Intermediate Similarity | 0.7321 | NPC254957 |
Intermediate Similarity | 0.7311 | NPC5374 |
Intermediate Similarity | 0.7291 | NPC5167 |
Intermediate Similarity | 0.7256 | NPC473460 |
Intermediate Similarity | 0.7206 | NPC85613 |
Intermediate Similarity | 0.7202 | NPC90185 |
Intermediate Similarity | 0.7189 | NPC158551 |
Intermediate Similarity | 0.7156 | NPC308943 |
Intermediate Similarity | 0.7143 | NPC473422 |
Intermediate Similarity | 0.7123 | NPC198401 |
Intermediate Similarity | 0.7091 | NPC471561 |
Intermediate Similarity | 0.7085 | NPC55470 |
Intermediate Similarity | 0.7072 | NPC10732 |
Intermediate Similarity | 0.7072 | NPC470481 |
Intermediate Similarity | 0.7072 | NPC470482 |
Intermediate Similarity | 0.7033 | NPC116007 |
Intermediate Similarity | 0.7018 | NPC41216 |
Remote Similarity | 0.6959 | NPC127178 |
Remote Similarity | 0.6957 | NPC222524 |
Remote Similarity | 0.6951 | NPC471532 |
Remote Similarity | 0.6943 | NPC148124 |
Remote Similarity | 0.6934 | NPC45389 |
Remote Similarity | 0.693 | NPC477258 |
Remote Similarity | 0.692 | NPC159815 |
Remote Similarity | 0.6904 | NPC119669 |
Remote Similarity | 0.69 | NPC99724 |
Remote Similarity | 0.6887 | NPC477259 |
Remote Similarity | 0.6887 | NPC169387 |
Remote Similarity | 0.6875 | NPC283810 |
Remote Similarity | 0.6872 | NPC126556 |
Remote Similarity | 0.6872 | NPC83511 |
Remote Similarity | 0.6866 | NPC193906 |
Remote Similarity | 0.6866 | NPC23080 |
Remote Similarity | 0.6866 | NPC17677 |
Remote Similarity | 0.6861 | NPC475133 |
Remote Similarity | 0.6856 | NPC10653 |
Remote Similarity | 0.6856 | NPC318525 |
Remote Similarity | 0.6854 | NPC174629 |
Remote Similarity | 0.6847 | NPC478075 |
Remote Similarity | 0.6847 | NPC222561 |
Remote Similarity | 0.6845 | NPC164608 |
Remote Similarity | 0.6833 | NPC14339 |
Remote Similarity | 0.6832 | NPC135006 |
Remote Similarity | 0.6828 | NPC471531 |
Remote Similarity | 0.6825 | NPC473007 |
Remote Similarity | 0.6825 | NPC102760 |
Remote Similarity | 0.6824 | NPC248903 |
Remote Similarity | 0.682 | NPC24228 |
Remote Similarity | 0.6816 | NPC93653 |
Remote Similarity | 0.681 | NPC27887 |
Remote Similarity | 0.6798 | NPC153631 |
Remote Similarity | 0.6791 | NPC473004 |
Remote Similarity | 0.6791 | NPC204970 |
Remote Similarity | 0.6789 | NPC100863 |
Remote Similarity | 0.6789 | NPC112937 |
Remote Similarity | 0.6784 | NPC298449 |
Remote Similarity | 0.6781 | NPC26928 |
Remote Similarity | 0.6776 | NPC473008 |
Remote Similarity | 0.6757 | NPC475147 |
Remote Similarity | 0.6731 | NPC303581 |
Remote Similarity | 0.6731 | NPC67978 |
Remote Similarity | 0.673 | NPC314659 |
Remote Similarity | 0.6729 | NPC471650 |
Remote Similarity | 0.6716 | NPC299582 |
Remote Similarity | 0.6716 | NPC24954 |
Remote Similarity | 0.6715 | NPC86469 |
Remote Similarity | 0.6714 | NPC32064 |
Remote Similarity | 0.6709 | NPC476436 |
Remote Similarity | 0.6698 | NPC208890 |
Remote Similarity | 0.6697 | NPC108847 |
Remote Similarity | 0.6697 | NPC471489 |
Remote Similarity | 0.6696 | NPC119722 |
Remote Similarity | 0.6696 | NPC116178 |
Remote Similarity | 0.6683 | NPC476569 |
Remote Similarity | 0.6682 | NPC197335 |
Remote Similarity | 0.6681 | NPC470480 |
Remote Similarity | 0.6681 | NPC172222 |
Remote Similarity | 0.6667 | NPC308267 |
Remote Similarity | 0.6667 | NPC321166 |
Remote Similarity | 0.6667 | NPC122886 |
Remote Similarity | 0.6667 | NPC284842 |
Remote Similarity | 0.6667 | NPC217903 |
Remote Similarity | 0.6667 | NPC138083 |
Remote Similarity | 0.6653 | NPC160113 |
Remote Similarity | 0.6653 | NPC253675 |
Remote Similarity | 0.6653 | NPC476220 |
Remote Similarity | 0.6652 | NPC138830 |
Remote Similarity | 0.6652 | NPC295479 |
Remote Similarity | 0.6652 | NPC220241 |
Remote Similarity | 0.6651 | NPC477186 |
Remote Similarity | 0.6651 | NPC99723 |
Remote Similarity | 0.6636 | NPC226708 |
Remote Similarity | 0.6636 | NPC276120 |
Remote Similarity | 0.6635 | NPC287588 |
Remote Similarity | 0.6635 | NPC35680 |
Remote Similarity | 0.6625 | NPC154922 |
Remote Similarity | 0.6622 | NPC198160 |
Remote Similarity | 0.662 | NPC283207 |
Remote Similarity | 0.662 | NPC64140 |
Remote Similarity | 0.662 | NPC174122 |
Remote Similarity | 0.6619 | NPC285941 |
Remote Similarity | 0.6615 | NPC307682 |
Remote Similarity | 0.6609 | NPC38964 |
Remote Similarity | 0.6608 | NPC269449 |
Remote Similarity | 0.6601 | NPC57512 |
Remote Similarity | 0.6594 | NPC236668 |
Remote Similarity | 0.6592 | NPC473005 |
Remote Similarity | 0.6587 | NPC471604 |
Remote Similarity | 0.6584 | NPC470708 |
Remote Similarity | 0.6581 | NPC71539 |
Remote Similarity | 0.6581 | NPC250960 |
Remote Similarity | 0.6577 | NPC67904 |
Remote Similarity | 0.6575 | NPC230313 |
Remote Similarity | 0.6575 | NPC243626 |
Remote Similarity | 0.6574 | NPC162694 |
Remote Similarity | 0.6574 | NPC234069 |
Remote Similarity | 0.657 | NPC231198 |
Remote Similarity | 0.6569 | NPC476429 |
Remote Similarity | 0.6565 | NPC146976 |
Remote Similarity | 0.6564 | NPC328750 |
Remote Similarity | 0.6564 | NPC188163 |
Remote Similarity | 0.6564 | NPC213206 |
Remote Similarity | 0.6564 | NPC474915 |
Remote Similarity | 0.656 | NPC303374 |
Remote Similarity | 0.6558 | NPC276674 |
Remote Similarity | 0.6558 | NPC33902 |
Remote Similarity | 0.6555 | NPC241055 |
Remote Similarity | 0.6552 | NPC82056 |
Remote Similarity | 0.6545 | NPC266425 |
Remote Similarity | 0.6543 | NPC304837 |
Remote Similarity | 0.6543 | NPC476258 |
Remote Similarity | 0.6542 | NPC179704 |
Remote Similarity | 0.654 | NPC157931 |
Remote Similarity | 0.6535 | NPC25961 |
Remote Similarity | 0.6535 | NPC58661 |
Remote Similarity | 0.653 | NPC94499 |
Remote Similarity | 0.6528 | NPC21425 |
Remote Similarity | 0.6526 | NPC121400 |
Remote Similarity | 0.6526 | NPC190461 |
Remote Similarity | 0.6526 | NPC28368 |
Remote Similarity | 0.6524 | NPC288110 |
Remote Similarity | 0.6517 | NPC478189 |
Remote Similarity | 0.6516 | NPC161804 |
Remote Similarity | 0.6515 | NPC185838 |
Remote Similarity | 0.6513 | NPC74216 |
Remote Similarity | 0.6513 | NPC314682 |
Remote Similarity | 0.6512 | NPC249405 |
Remote Similarity | 0.6507 | NPC61731 |
Remote Similarity | 0.6507 | NPC186569 |
Remote Similarity | 0.6507 | NPC471648 |
Remote Similarity | 0.6504 | NPC477161 |
Remote Similarity | 0.65 | NPC428 |
Remote Similarity | 0.65 | NPC476571 |
Remote Similarity | 0.65 | NPC24233 |
Remote Similarity | 0.65 | NPC147390 |
Remote Similarity | 0.65 | NPC135538 |
Remote Similarity | 0.65 | NPC469815 |
Remote Similarity | 0.65 | NPC469816 |
Remote Similarity | 0.65 | NPC246587 |
Remote Similarity | 0.65 | NPC475959 |
Remote Similarity | 0.6498 | NPC266994 |
Remote Similarity | 0.6498 | NPC320088 |
Remote Similarity | 0.6496 | NPC476069 |
Remote Similarity | 0.6492 | NPC270515 |
Remote Similarity | 0.6491 | NPC85661 |
Remote Similarity | 0.649 | NPC306669 |
Remote Similarity | 0.649 | NPC113455 |
Remote Similarity | 0.6486 | NPC215098 |
Remote Similarity | 0.6486 | NPC124302 |
Remote Similarity | 0.6486 | NPC70290 |
Remote Similarity | 0.6486 | NPC14622 |
Remote Similarity | 0.6486 | NPC46744 |
Remote Similarity | 0.6486 | NPC73020 |
Remote Similarity | 0.6481 | NPC195120 |
Remote Similarity | 0.6481 | NPC87560 |
Remote Similarity | 0.6481 | NPC87391 |
Remote Similarity | 0.6481 | NPC182853 |
Remote Similarity | 0.6479 | NPC39822 |
Remote Similarity | 0.6478 | NPC127996 |
Remote Similarity | 0.6475 | NPC41501 |
Remote Similarity | 0.6473 | NPC329631 |
Remote Similarity | 0.6473 | NPC254700 |
Remote Similarity | 0.6471 | NPC33256 |
Remote Similarity | 0.6468 | NPC469539 |
Remote Similarity | 0.6468 | NPC469540 |
Remote Similarity | 0.6468 | NPC312531 |
Remote Similarity | 0.6468 | NPC128476 |
Remote Similarity | 0.6468 | NPC329830 |
Remote Similarity | 0.6468 | NPC474904 |
Remote Similarity | 0.6468 | NPC29531 |
Remote Similarity | 0.646 | NPC38961 |
Molecular Weight   | 460.13 |
ALogP   | -1.0449 |
MLogP   | 2.78 |
XLogP   | 2.647 |
HDA   | 7 |
HBD   | 1 |
Rotatable Bonds   | 13 |
TPSA   | 130.95 |
RO5 Violation   | 0 |