Drug ID:   | NPD7229 |
Drug Name:   | Fasiglifam |
Molecular Formula:   | C29H32O7S |
Canonical SMILES:   | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C |
Standard InCHI:   | InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1 |
Standard InCHIKey:   | BZCALJIHZVNMGJ-HSZRJFAPSA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
Intermediate Similarity | 0.8199 | NPC142863 |
Intermediate Similarity | 0.8024 | NPC165483 |
Intermediate Similarity | 0.8024 | NPC146211 |
Intermediate Similarity | 0.7975 | NPC17101 |
Intermediate Similarity | 0.7975 | NPC77903 |
Intermediate Similarity | 0.7964 | NPC297531 |
Intermediate Similarity | 0.7964 | NPC213936 |
Intermediate Similarity | 0.7964 | NPC148938 |
Intermediate Similarity | 0.795 | NPC18211 |
Intermediate Similarity | 0.7941 | NPC177100 |
Intermediate Similarity | 0.7941 | NPC139540 |
Intermediate Similarity | 0.7939 | NPC119929 |
Intermediate Similarity | 0.7929 | NPC239118 |
Intermediate Similarity | 0.7917 | NPC55463 |
Intermediate Similarity | 0.7917 | NPC166116 |
Intermediate Similarity | 0.7904 | NPC477669 |
Intermediate Similarity | 0.7904 | NPC235333 |
Intermediate Similarity | 0.7901 | NPC470932 |
Intermediate Similarity | 0.7875 | NPC155552 |
Intermediate Similarity | 0.7875 | NPC472523 |
Intermediate Similarity | 0.787 | NPC246647 |
Intermediate Similarity | 0.787 | NPC212967 |
Intermediate Similarity | 0.787 | NPC268360 |
Intermediate Similarity | 0.787 | NPC158542 |
Intermediate Similarity | 0.787 | NPC164110 |
Intermediate Similarity | 0.787 | NPC96342 |
Intermediate Similarity | 0.7853 | NPC131766 |
Intermediate Similarity | 0.7844 | NPC207624 |
Intermediate Similarity | 0.7844 | NPC217447 |
Intermediate Similarity | 0.7844 | NPC271681 |
Intermediate Similarity | 0.7844 | NPC178574 |
Intermediate Similarity | 0.7844 | NPC273483 |
Intermediate Similarity | 0.7844 | NPC65591 |
Intermediate Similarity | 0.7844 | NPC142308 |
Intermediate Similarity | 0.784 | NPC143092 |
Intermediate Similarity | 0.7836 | NPC155754 |
Intermediate Similarity | 0.7836 | NPC18380 |
Intermediate Similarity | 0.7836 | NPC109061 |
Intermediate Similarity | 0.7836 | NPC92589 |
Intermediate Similarity | 0.7836 | NPC124747 |
Intermediate Similarity | 0.7831 | NPC13282 |
Intermediate Similarity | 0.7831 | NPC475460 |
Intermediate Similarity | 0.7831 | NPC307780 |
Intermediate Similarity | 0.7831 | NPC309979 |
Intermediate Similarity | 0.7829 | NPC180768 |
Intermediate Similarity | 0.7829 | NPC477573 |
Intermediate Similarity | 0.7829 | NPC477572 |
Intermediate Similarity | 0.7829 | NPC477571 |
Intermediate Similarity | 0.7824 | NPC218818 |
Intermediate Similarity | 0.7824 | NPC4950 |
Intermediate Similarity | 0.7824 | NPC98083 |
Intermediate Similarity | 0.7824 | NPC328122 |
Intermediate Similarity | 0.7824 | NPC474373 |
Intermediate Similarity | 0.7824 | NPC7543 |
Intermediate Similarity | 0.7824 | NPC209473 |
Intermediate Similarity | 0.7824 | NPC166456 |
Intermediate Similarity | 0.7824 | NPC472299 |
Intermediate Similarity | 0.7824 | NPC329743 |
Intermediate Similarity | 0.7824 | NPC94220 |
Intermediate Similarity | 0.7824 | NPC24339 |
Intermediate Similarity | 0.7818 | NPC145467 |
Intermediate Similarity | 0.7818 | NPC146388 |
Intermediate Similarity | 0.7811 | NPC477674 |
Intermediate Similarity | 0.7811 | NPC180924 |
Intermediate Similarity | 0.7805 | NPC286038 |
Intermediate Similarity | 0.7805 | NPC237208 |
Intermediate Similarity | 0.7803 | NPC222531 |
Intermediate Similarity | 0.7798 | NPC169990 |
Intermediate Similarity | 0.7798 | NPC1477 |
Intermediate Similarity | 0.7798 | NPC210942 |
Intermediate Similarity | 0.7798 | NPC472799 |
Intermediate Similarity | 0.7798 | NPC273578 |
Intermediate Similarity | 0.7798 | NPC213608 |
Intermediate Similarity | 0.7791 | NPC249070 |
Intermediate Similarity | 0.7791 | NPC471305 |
Intermediate Similarity | 0.7791 | NPC71739 |
Intermediate Similarity | 0.7791 | NPC473012 |
Intermediate Similarity | 0.7784 | NPC477673 |
Intermediate Similarity | 0.7784 | NPC317715 |
Intermediate Similarity | 0.7784 | NPC78835 |
Intermediate Similarity | 0.7784 | NPC478148 |
Intermediate Similarity | 0.7784 | NPC115324 |
Intermediate Similarity | 0.7784 | NPC316960 |
Intermediate Similarity | 0.7784 | NPC106372 |
Intermediate Similarity | 0.7784 | NPC148945 |
Intermediate Similarity | 0.7784 | NPC474417 |
Intermediate Similarity | 0.7784 | NPC149526 |
Intermediate Similarity | 0.7784 | NPC204561 |
Intermediate Similarity | 0.7784 | NPC477672 |
Intermediate Similarity | 0.7784 | NPC23668 |
Intermediate Similarity | 0.7784 | NPC309512 |
Intermediate Similarity | 0.7784 | NPC58668 |
Intermediate Similarity | 0.7784 | NPC170169 |
Intermediate Similarity | 0.7784 | NPC193976 |
Intermediate Similarity | 0.7784 | NPC290671 |
Intermediate Similarity | 0.7778 | NPC310399 |
Intermediate Similarity | 0.7778 | NPC96593 |
Intermediate Similarity | 0.7778 | NPC292863 |
Intermediate Similarity | 0.7778 | NPC119910 |
Intermediate Similarity | 0.7778 | NPC115432 |
Intermediate Similarity | 0.7778 | NPC470810 |
Intermediate Similarity | 0.7778 | NPC184326 |
Intermediate Similarity | 0.7778 | NPC260296 |
Intermediate Similarity | 0.7778 | NPC73422 |
Intermediate Similarity | 0.7771 | NPC146014 |
Intermediate Similarity | 0.7771 | NPC233267 |
Intermediate Similarity | 0.7771 | NPC291049 |
Intermediate Similarity | 0.7765 | NPC143328 |
Intermediate Similarity | 0.7765 | NPC123153 |
Intermediate Similarity | 0.7765 | NPC207584 |
Intermediate Similarity | 0.7765 | NPC19947 |
Intermediate Similarity | 0.7764 | NPC310370 |
Intermediate Similarity | 0.7764 | NPC183642 |
Intermediate Similarity | 0.7759 | NPC53640 |
Intermediate Similarity | 0.7759 | NPC43065 |
Intermediate Similarity | 0.7758 | NPC308200 |
Intermediate Similarity | 0.7758 | NPC125801 |
Intermediate Similarity | 0.7758 | NPC12305 |
Intermediate Similarity | 0.7758 | NPC66991 |
Intermediate Similarity | 0.7753 | NPC324220 |
Intermediate Similarity | 0.7753 | NPC312630 |
Intermediate Similarity | 0.7751 | NPC198490 |
Intermediate Similarity | 0.7751 | NPC99199 |
Intermediate Similarity | 0.775 | NPC307883 |
Intermediate Similarity | 0.7746 | NPC473009 |
Intermediate Similarity | 0.7744 | NPC29577 |
Intermediate Similarity | 0.7744 | NPC471608 |
Intermediate Similarity | 0.7744 | NPC134621 |
Intermediate Similarity | 0.7738 | NPC154683 |
Intermediate Similarity | 0.7738 | NPC175978 |
Intermediate Similarity | 0.7738 | NPC40356 |
Intermediate Similarity | 0.7738 | NPC87708 |
Intermediate Similarity | 0.7738 | NPC245948 |
Intermediate Similarity | 0.7738 | NPC5871 |
Intermediate Similarity | 0.7733 | NPC288149 |
Intermediate Similarity | 0.7733 | NPC312273 |
Intermediate Similarity | 0.7733 | NPC301256 |
Intermediate Similarity | 0.7733 | NPC90336 |
Intermediate Similarity | 0.7733 | NPC137232 |
Intermediate Similarity | 0.7727 | NPC91043 |
Intermediate Similarity | 0.7727 | NPC477883 |
Intermediate Similarity | 0.7725 | NPC78335 |
Intermediate Similarity | 0.7725 | NPC470107 |
Intermediate Similarity | 0.7725 | NPC227122 |
Intermediate Similarity | 0.7725 | NPC295036 |
Intermediate Similarity | 0.7725 | NPC474660 |
Intermediate Similarity | 0.7725 | NPC230713 |
Intermediate Similarity | 0.7722 | NPC213122 |
Intermediate Similarity | 0.7719 | NPC226287 |
Intermediate Similarity | 0.7719 | NPC125713 |
Intermediate Similarity | 0.7719 | NPC40583 |
Intermediate Similarity | 0.7719 | NPC244750 |
Intermediate Similarity | 0.7719 | NPC195167 |
Intermediate Similarity | 0.7714 | NPC76647 |
Intermediate Similarity | 0.7711 | NPC39195 |
Intermediate Similarity | 0.7711 | NPC105415 |
Intermediate Similarity | 0.7711 | NPC472841 |
Intermediate Similarity | 0.7706 | NPC32373 |
Intermediate Similarity | 0.7706 | NPC237946 |
Intermediate Similarity | 0.7701 | NPC474591 |
Intermediate Similarity | 0.7701 | NPC473010 |
Intermediate Similarity | 0.7697 | NPC163846 |
Intermediate Similarity | 0.7697 | NPC267509 |
Intermediate Similarity | 0.7697 | NPC225173 |
Intermediate Similarity | 0.7697 | NPC25844 |
Intermediate Similarity | 0.7697 | NPC473927 |
Intermediate Similarity | 0.7692 | NPC329844 |
Intermediate Similarity | 0.7692 | NPC472462 |
Intermediate Similarity | 0.7692 | NPC183874 |
Intermediate Similarity | 0.7688 | NPC261896 |
Intermediate Similarity | 0.7683 | NPC295696 |
Intermediate Similarity | 0.7683 | NPC95123 |
Intermediate Similarity | 0.7683 | NPC184702 |
Intermediate Similarity | 0.7683 | NPC66404 |
Intermediate Similarity | 0.7679 | NPC178484 |
Intermediate Similarity | 0.7679 | NPC227166 |
Intermediate Similarity | 0.7679 | NPC476452 |
Intermediate Similarity | 0.7679 | NPC133856 |
Intermediate Similarity | 0.7679 | NPC72958 |
Intermediate Similarity | 0.7679 | NPC232645 |
Intermediate Similarity | 0.7679 | NPC476434 |
Intermediate Similarity | 0.7674 | NPC143050 |
Intermediate Similarity | 0.7674 | NPC47623 |
Intermediate Similarity | 0.7673 | NPC15109 |
Intermediate Similarity | 0.7673 | NPC11727 |
Intermediate Similarity | 0.7673 | NPC125579 |
Intermediate Similarity | 0.7673 | NPC211386 |
Intermediate Similarity | 0.7669 | NPC250755 |
Intermediate Similarity | 0.7669 | NPC273657 |
Intermediate Similarity | 0.7669 | NPC106920 |
Intermediate Similarity | 0.7665 | NPC65775 |
Intermediate Similarity | 0.7665 | NPC226644 |
Intermediate Similarity | 0.7665 | NPC100985 |
Intermediate Similarity | 0.7665 | NPC97028 |
Intermediate Similarity | 0.7665 | NPC97029 |
Intermediate Similarity | 0.7665 | NPC288036 |
Intermediate Similarity | 0.7665 | NPC37226 |
Intermediate Similarity | 0.7665 | NPC178202 |
Intermediate Similarity | 0.7665 | NPC158338 |
Intermediate Similarity | 0.7665 | NPC10027 |
TTD   | DNCL002926; DIB002820 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 24857286; 57339446 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 524.19 |
ALogP   | -0.2539 |
MLogP   | 3.77 |
XLogP   | 6.617 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 15 |
TPSA   | 107.51 |
RO5 Violation   | 2 |