Drug ID:   | NPD4062 |
Drug Name:   | Tesaglitazar |
Molecular Formula:   | C20H24O7S |
Canonical SMILES:   | CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCc1ccc(cc1)OS(=O)(=O)C |
Standard InCHI:   | InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 |
Standard InCHIKey:   | CXGTZJYQWSUFET-IBGZPJMESA-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 |
---|---|---|
High Similarity | 0.8629 | NPC51345 |
Intermediate Similarity | 0.8358 | NPC241354 |
Intermediate Similarity | 0.8217 | NPC264976 |
Intermediate Similarity | 0.8182 | NPC14141 |
Intermediate Similarity | 0.8182 | NPC473942 |
Intermediate Similarity | 0.8156 | NPC288452 |
Intermediate Similarity | 0.8156 | NPC289690 |
Intermediate Similarity | 0.8095 | NPC48525 |
Intermediate Similarity | 0.8085 | NPC284409 |
Intermediate Similarity | 0.8071 | NPC71638 |
Intermediate Similarity | 0.8071 | NPC64230 |
Intermediate Similarity | 0.806 | NPC280767 |
Intermediate Similarity | 0.8056 | NPC160378 |
Intermediate Similarity | 0.8015 | NPC226661 |
Intermediate Similarity | 0.8 | NPC293424 |
Intermediate Similarity | 0.8 | NPC234639 |
Intermediate Similarity | 0.7986 | NPC202743 |
Intermediate Similarity | 0.7985 | NPC89630 |
Intermediate Similarity | 0.7931 | NPC304956 |
Intermediate Similarity | 0.7929 | NPC176814 |
Intermediate Similarity | 0.7929 | NPC68779 |
Intermediate Similarity | 0.7929 | NPC4982 |
Intermediate Similarity | 0.7929 | NPC300776 |
Intermediate Similarity | 0.7929 | NPC5310 |
Intermediate Similarity | 0.7914 | NPC173034 |
Intermediate Similarity | 0.7887 | NPC471068 |
Intermediate Similarity | 0.7887 | NPC471069 |
Intermediate Similarity | 0.7883 | NPC217431 |
Intermediate Similarity | 0.7883 | NPC2596 |
Intermediate Similarity | 0.7877 | NPC258671 |
Intermediate Similarity | 0.7877 | NPC53884 |
Intermediate Similarity | 0.7868 | NPC474476 |
Intermediate Similarity | 0.7863 | NPC471033 |
Intermediate Similarity | 0.7863 | NPC311091 |
Intermediate Similarity | 0.7863 | NPC205502 |
Intermediate Similarity | 0.7857 | NPC155209 |
Intermediate Similarity | 0.7857 | NPC259554 |
Intermediate Similarity | 0.7857 | NPC168799 |
Intermediate Similarity | 0.7846 | NPC19290 |
Intermediate Similarity | 0.7842 | NPC198388 |
Intermediate Similarity | 0.7842 | NPC108553 |
Intermediate Similarity | 0.7832 | NPC471070 |
Intermediate Similarity | 0.7832 | NPC471071 |
Intermediate Similarity | 0.7832 | NPC471072 |
Intermediate Similarity | 0.7823 | NPC473855 |
Intermediate Similarity | 0.7817 | NPC90431 |
Intermediate Similarity | 0.781 | NPC223807 |
Intermediate Similarity | 0.7808 | NPC473090 |
Intermediate Similarity | 0.7801 | NPC34456 |
Intermediate Similarity | 0.78 | NPC300329 |
Intermediate Similarity | 0.7794 | NPC88403 |
Intermediate Similarity | 0.7794 | NPC3221 |
Intermediate Similarity | 0.7794 | NPC257589 |
Intermediate Similarity | 0.7794 | NPC53305 |
Intermediate Similarity | 0.7793 | NPC253722 |
Intermediate Similarity | 0.7793 | NPC31751 |
Intermediate Similarity | 0.7793 | NPC253481 |
Intermediate Similarity | 0.7786 | NPC25581 |
Intermediate Similarity | 0.7786 | NPC61 |
Intermediate Similarity | 0.7786 | NPC18074 |
Intermediate Similarity | 0.7786 | NPC5419 |
Intermediate Similarity | 0.7778 | NPC279379 |
Intermediate Similarity | 0.777 | NPC319282 |
Intermediate Similarity | 0.777 | NPC215941 |
Intermediate Similarity | 0.777 | NPC137427 |
Intermediate Similarity | 0.777 | NPC283081 |
Intermediate Similarity | 0.777 | NPC275724 |
Intermediate Similarity | 0.777 | NPC221383 |
Intermediate Similarity | 0.777 | NPC123196 |
Intermediate Similarity | 0.777 | NPC143892 |
Intermediate Similarity | 0.777 | NPC299090 |
Intermediate Similarity | 0.777 | NPC244246 |
Intermediate Similarity | 0.777 | NPC65935 |
Intermediate Similarity | 0.777 | NPC311419 |
Intermediate Similarity | 0.7769 | NPC296526 |
Intermediate Similarity | 0.7761 | NPC194416 |
Intermediate Similarity | 0.7761 | NPC177291 |
Intermediate Similarity | 0.776 | NPC1065 |
Intermediate Similarity | 0.7754 | NPC110313 |
Intermediate Similarity | 0.7752 | NPC109241 |
Intermediate Similarity | 0.7746 | NPC113295 |
Intermediate Similarity | 0.7744 | NPC474874 |
Intermediate Similarity | 0.7737 | NPC90128 |
Intermediate Similarity | 0.7737 | NPC84076 |
Intermediate Similarity | 0.7737 | NPC92207 |
Intermediate Similarity | 0.7737 | NPC213552 |
Intermediate Similarity | 0.7737 | NPC120225 |
Intermediate Similarity | 0.7737 | NPC127937 |
Intermediate Similarity | 0.7737 | NPC303680 |
Intermediate Similarity | 0.7733 | NPC221091 |
Intermediate Similarity | 0.7733 | NPC259576 |
Intermediate Similarity | 0.773 | NPC475468 |
Intermediate Similarity | 0.7727 | NPC101503 |
Intermediate Similarity | 0.7724 | NPC100675 |
Intermediate Similarity | 0.7721 | NPC221798 |
Intermediate Similarity | 0.7717 | NPC326187 |
Intermediate Similarity | 0.7717 | NPC474272 |
Intermediate Similarity | 0.771 | NPC128249 |
Intermediate Similarity | 0.7704 | NPC71090 |
Intermediate Similarity | 0.7698 | NPC238309 |
Intermediate Similarity | 0.7692 | NPC235250 |
Intermediate Similarity | 0.7687 | NPC471028 |
Intermediate Similarity | 0.7681 | NPC473993 |
Intermediate Similarity | 0.7681 | NPC276466 |
Intermediate Similarity | 0.7681 | NPC123722 |
Intermediate Similarity | 0.7681 | NPC151167 |
Intermediate Similarity | 0.7681 | NPC123228 |
Intermediate Similarity | 0.7681 | NPC5018 |
Intermediate Similarity | 0.768 | NPC470393 |
Intermediate Similarity | 0.7676 | NPC471029 |
Intermediate Similarity | 0.7676 | NPC471110 |
Intermediate Similarity | 0.7671 | NPC184053 |
Intermediate Similarity | 0.7664 | NPC289459 |
Intermediate Similarity | 0.766 | NPC269421 |
Intermediate Similarity | 0.7656 | NPC46844 |
Intermediate Similarity | 0.7656 | NPC231251 |
Intermediate Similarity | 0.7656 | NPC88868 |
Intermediate Similarity | 0.7656 | NPC25067 |
Intermediate Similarity | 0.7647 | NPC244876 |
Intermediate Similarity | 0.7643 | NPC172673 |
Intermediate Similarity | 0.7638 | NPC31274 |
Intermediate Similarity | 0.7632 | NPC295650 |
Intermediate Similarity | 0.7616 | NPC477941 |
Intermediate Similarity | 0.7612 | NPC193193 |
Intermediate Similarity | 0.7612 | NPC31314 |
Intermediate Similarity | 0.7609 | NPC179777 |
Intermediate Similarity | 0.7606 | NPC477280 |
Intermediate Similarity | 0.7606 | NPC307006 |
Intermediate Similarity | 0.7606 | NPC477281 |
Intermediate Similarity | 0.7606 | NPC19719 |
Intermediate Similarity | 0.7606 | NPC129889 |
Intermediate Similarity | 0.7603 | NPC29599 |
Intermediate Similarity | 0.7603 | NPC166137 |
Intermediate Similarity | 0.7603 | NPC282291 |
Intermediate Similarity | 0.76 | NPC472969 |
Intermediate Similarity | 0.76 | NPC283546 |
Intermediate Similarity | 0.76 | NPC108875 |
Intermediate Similarity | 0.76 | NPC38079 |
Intermediate Similarity | 0.7594 | NPC159916 |
Intermediate Similarity | 0.7591 | NPC114901 |
Intermediate Similarity | 0.7591 | NPC246704 |
Intermediate Similarity | 0.7591 | NPC48990 |
Intermediate Similarity | 0.7591 | NPC293701 |
Intermediate Similarity | 0.7591 | NPC94276 |
Intermediate Similarity | 0.7591 | NPC109822 |
Intermediate Similarity | 0.7589 | NPC470392 |
Intermediate Similarity | 0.7589 | NPC104854 |
Intermediate Similarity | 0.7584 | NPC291153 |
Intermediate Similarity | 0.7574 | NPC291189 |
Intermediate Similarity | 0.7574 | NPC69403 |
Intermediate Similarity | 0.7571 | NPC304622 |
Intermediate Similarity | 0.7571 | NPC83062 |
Intermediate Similarity | 0.7569 | NPC471719 |
Intermediate Similarity | 0.7559 | NPC157473 |
Intermediate Similarity | 0.7559 | NPC151530 |
Intermediate Similarity | 0.7554 | NPC12022 |
Intermediate Similarity | 0.7554 | NPC20287 |
Intermediate Similarity | 0.7554 | NPC293641 |
Intermediate Similarity | 0.7554 | NPC20404 |
Intermediate Similarity | 0.755 | NPC98809 |
Intermediate Similarity | 0.755 | NPC476394 |
Intermediate Similarity | 0.755 | NPC287294 |
Intermediate Similarity | 0.7537 | NPC163036 |
Intermediate Similarity | 0.7537 | NPC234956 |
Intermediate Similarity | 0.7536 | NPC194519 |
Intermediate Similarity | 0.7535 | NPC327204 |
Intermediate Similarity | 0.7535 | NPC239302 |
Intermediate Similarity | 0.7535 | NPC323379 |
Intermediate Similarity | 0.7534 | NPC147379 |
Intermediate Similarity | 0.752 | NPC298224 |
Intermediate Similarity | 0.7519 | NPC63345 |
Intermediate Similarity | 0.7519 | NPC183700 |
Intermediate Similarity | 0.7518 | NPC2989 |
Intermediate Similarity | 0.7518 | NPC475102 |
Intermediate Similarity | 0.7518 | NPC163083 |
Intermediate Similarity | 0.7518 | NPC470887 |
Intermediate Similarity | 0.7517 | NPC67349 |
Intermediate Similarity | 0.7517 | NPC223185 |
Intermediate Similarity | 0.7517 | NPC279676 |
Intermediate Similarity | 0.7517 | NPC132771 |
Intermediate Similarity | 0.7517 | NPC126206 |
Intermediate Similarity | 0.7517 | NPC281780 |
Intermediate Similarity | 0.7516 | NPC246566 |
Intermediate Similarity | 0.7516 | NPC95498 |
Intermediate Similarity | 0.75 | NPC40920 |
Intermediate Similarity | 0.75 | NPC473091 |
Intermediate Similarity | 0.75 | NPC476018 |
Intermediate Similarity | 0.75 | NPC106920 |
Intermediate Similarity | 0.75 | NPC210674 |
Intermediate Similarity | 0.75 | NPC127389 |
Intermediate Similarity | 0.75 | NPC278308 |
Intermediate Similarity | 0.75 | NPC475029 |
Intermediate Similarity | 0.75 | NPC229882 |
Intermediate Similarity | 0.75 | NPC290451 |
Intermediate Similarity | 0.75 | NPC223335 |
Intermediate Similarity | 0.75 | NPC158635 |
Intermediate Similarity | 0.75 | NPC291837 |
Intermediate Similarity | 0.75 | NPC201777 |
Intermediate Similarity | 0.75 | NPC273657 |
Intermediate Similarity | 0.75 | NPC472271 |
Molecular Weight   | 408.12 |
ALogP   | -0.3133 |
MLogP   | 2.78 |
XLogP   | 3.417 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 14 |
TPSA   | 107.51 |
RO5 Violation   | 1 |