Drug ID:   | NPD3496 |
Drug Name:   | oxeglitazar |
Molecular Formula:   | C19H22O4 |
Canonical SMILES:   | COc1ccc2c(c1)C(=CC(CO2)(C)C)/C=C/C(=C/C(=O)O)/C |
Standard InCHI:   | InChI=1S/C19H22O4/c1-13(9-18(20)21)5-6-14-11-19(2,3)12-23-17-8-7-15(22-4)10-16(14)17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-9+ |
Standard InCHIKey:   | FVGXANXBVWECQE-BYWGDBCOSA-N |
Max Developmental Stage:   | Discontinued |
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 |
---|---|---|
High Similarity | 0.8824 | NPC98748 |
High Similarity | 0.8718 | NPC87563 |
High Similarity | 0.8678 | NPC322569 |
High Similarity | 0.8618 | NPC248786 |
High Similarity | 0.8607 | NPC476165 |
High Similarity | 0.8595 | NPC14177 |
High Similarity | 0.8571 | NPC163398 |
High Similarity | 0.8537 | NPC302211 |
Intermediate Similarity | 0.8492 | NPC95034 |
Intermediate Similarity | 0.8492 | NPC142087 |
Intermediate Similarity | 0.845 | NPC329427 |
Intermediate Similarity | 0.845 | NPC317601 |
Intermediate Similarity | 0.8443 | NPC193193 |
Intermediate Similarity | 0.8443 | NPC31314 |
Intermediate Similarity | 0.8435 | NPC233320 |
Intermediate Similarity | 0.8425 | NPC201419 |
Intermediate Similarity | 0.8421 | NPC227255 |
Intermediate Similarity | 0.8421 | NPC288760 |
Intermediate Similarity | 0.84 | NPC474237 |
Intermediate Similarity | 0.84 | NPC276962 |
Intermediate Similarity | 0.84 | NPC190086 |
Intermediate Similarity | 0.84 | NPC147896 |
Intermediate Similarity | 0.8397 | NPC281169 |
Intermediate Similarity | 0.8397 | NPC291119 |
Intermediate Similarity | 0.839 | NPC474920 |
Intermediate Similarity | 0.8387 | NPC476332 |
Intermediate Similarity | 0.8387 | NPC477151 |
Intermediate Similarity | 0.8387 | NPC132518 |
Intermediate Similarity | 0.8387 | NPC473464 |
Intermediate Similarity | 0.8361 | NPC37858 |
Intermediate Similarity | 0.8305 | NPC275627 |
Intermediate Similarity | 0.8281 | NPC176590 |
Intermediate Similarity | 0.8279 | NPC283616 |
Intermediate Similarity | 0.8276 | NPC151530 |
Intermediate Similarity | 0.8276 | NPC157473 |
Intermediate Similarity | 0.8268 | NPC329272 |
Intermediate Similarity | 0.8264 | NPC33717 |
Intermediate Similarity | 0.8261 | NPC473855 |
Intermediate Similarity | 0.8258 | NPC51087 |
Intermediate Similarity | 0.8258 | NPC161856 |
Intermediate Similarity | 0.825 | NPC41851 |
Intermediate Similarity | 0.825 | NPC197513 |
Intermediate Similarity | 0.8235 | NPC199462 |
Intermediate Similarity | 0.8235 | NPC280760 |
Intermediate Similarity | 0.8217 | NPC271832 |
Intermediate Similarity | 0.8217 | NPC59654 |
Intermediate Similarity | 0.8211 | NPC32152 |
Intermediate Similarity | 0.8211 | NPC471449 |
Intermediate Similarity | 0.8209 | NPC474943 |
Intermediate Similarity | 0.8209 | NPC475005 |
Intermediate Similarity | 0.8205 | NPC241549 |
Intermediate Similarity | 0.8203 | NPC473993 |
Intermediate Similarity | 0.8197 | NPC263754 |
Intermediate Similarity | 0.8197 | NPC183154 |
Intermediate Similarity | 0.819 | NPC176971 |
Intermediate Similarity | 0.8182 | NPC301321 |
Intermediate Similarity | 0.8182 | NPC473718 |
Intermediate Similarity | 0.8175 | NPC477152 |
Intermediate Similarity | 0.8151 | NPC228609 |
Intermediate Similarity | 0.8148 | NPC475045 |
Intermediate Similarity | 0.8145 | NPC474131 |
Intermediate Similarity | 0.8145 | NPC474874 |
Intermediate Similarity | 0.8145 | NPC232295 |
Intermediate Similarity | 0.814 | NPC81261 |
Intermediate Similarity | 0.8136 | NPC149545 |
Intermediate Similarity | 0.813 | NPC124916 |
Intermediate Similarity | 0.812 | NPC476018 |
Intermediate Similarity | 0.812 | NPC475011 |
Intermediate Similarity | 0.812 | NPC475029 |
Intermediate Similarity | 0.8115 | NPC69539 |
Intermediate Similarity | 0.8115 | NPC154256 |
Intermediate Similarity | 0.8115 | NPC290470 |
Intermediate Similarity | 0.811 | NPC146886 |
Intermediate Similarity | 0.811 | NPC20443 |
Intermediate Similarity | 0.811 | NPC60517 |
Intermediate Similarity | 0.8103 | NPC128730 |
Intermediate Similarity | 0.8095 | NPC46586 |
Intermediate Similarity | 0.8095 | NPC204535 |
Intermediate Similarity | 0.8095 | NPC49441 |
Intermediate Similarity | 0.8095 | NPC325301 |
Intermediate Similarity | 0.8092 | NPC142530 |
Intermediate Similarity | 0.8088 | NPC475063 |
Intermediate Similarity | 0.8088 | NPC475044 |
Intermediate Similarity | 0.8083 | NPC98372 |
Intermediate Similarity | 0.8083 | NPC26615 |
Intermediate Similarity | 0.8074 | NPC43500 |
Intermediate Similarity | 0.8074 | NPC164148 |
Intermediate Similarity | 0.8067 | NPC473809 |
Intermediate Similarity | 0.8067 | NPC141068 |
Intermediate Similarity | 0.8065 | NPC51341 |
Intermediate Similarity | 0.8065 | NPC234956 |
Intermediate Similarity | 0.8062 | NPC474670 |
Intermediate Similarity | 0.8049 | NPC238176 |
Intermediate Similarity | 0.8049 | NPC187993 |
Intermediate Similarity | 0.8047 | NPC170749 |
Intermediate Similarity | 0.8045 | NPC211164 |
Intermediate Similarity | 0.8034 | NPC326447 |
Intermediate Similarity | 0.8033 | NPC296526 |
Intermediate Similarity | 0.8031 | NPC474130 |
Intermediate Similarity | 0.803 | NPC319969 |
Intermediate Similarity | 0.8017 | NPC2518 |
Intermediate Similarity | 0.8017 | NPC190212 |
Intermediate Similarity | 0.8017 | NPC93831 |
Intermediate Similarity | 0.8017 | NPC283546 |
Intermediate Similarity | 0.8015 | NPC475012 |
Intermediate Similarity | 0.8015 | NPC475880 |
Intermediate Similarity | 0.8 | NPC471504 |
Intermediate Similarity | 0.8 | NPC473290 |
Intermediate Similarity | 0.8 | NPC178129 |
Intermediate Similarity | 0.7984 | NPC101894 |
Intermediate Similarity | 0.7984 | NPC293424 |
Intermediate Similarity | 0.7984 | NPC120225 |
Intermediate Similarity | 0.7984 | NPC206205 |
Intermediate Similarity | 0.7984 | NPC213552 |
Intermediate Similarity | 0.7984 | NPC128321 |
Intermediate Similarity | 0.7983 | NPC98392 |
Intermediate Similarity | 0.797 | NPC36437 |
Intermediate Similarity | 0.797 | NPC233018 |
Intermediate Similarity | 0.797 | NPC474810 |
Intermediate Similarity | 0.797 | NPC241341 |
Intermediate Similarity | 0.797 | NPC31849 |
Intermediate Similarity | 0.7969 | NPC89630 |
Intermediate Similarity | 0.7955 | NPC147317 |
Intermediate Similarity | 0.7953 | NPC327070 |
Intermediate Similarity | 0.7953 | NPC188997 |
Intermediate Similarity | 0.7951 | NPC235250 |
Intermediate Similarity | 0.7951 | NPC294941 |
Intermediate Similarity | 0.7949 | NPC473393 |
Intermediate Similarity | 0.7949 | NPC139891 |
Intermediate Similarity | 0.7949 | NPC470393 |
Intermediate Similarity | 0.7941 | NPC476025 |
Intermediate Similarity | 0.7941 | NPC475028 |
Intermediate Similarity | 0.7939 | NPC97326 |
Intermediate Similarity | 0.7937 | NPC204466 |
Intermediate Similarity | 0.7937 | NPC267064 |
Intermediate Similarity | 0.7937 | NPC475529 |
Intermediate Similarity | 0.7937 | NPC473875 |
Intermediate Similarity | 0.7931 | NPC179686 |
Intermediate Similarity | 0.7931 | NPC192596 |
Intermediate Similarity | 0.7926 | NPC115861 |
Intermediate Similarity | 0.7923 | NPC71525 |
Intermediate Similarity | 0.7923 | NPC319422 |
Intermediate Similarity | 0.7923 | NPC258567 |
Intermediate Similarity | 0.7923 | NPC477214 |
Intermediate Similarity | 0.7923 | NPC477211 |
Intermediate Similarity | 0.7923 | NPC224774 |
Intermediate Similarity | 0.7923 | NPC121740 |
Intermediate Similarity | 0.7923 | NPC474821 |
Intermediate Similarity | 0.7923 | NPC477212 |
Intermediate Similarity | 0.792 | NPC264976 |
Intermediate Similarity | 0.7917 | NPC88868 |
Intermediate Similarity | 0.7917 | NPC231251 |
Intermediate Similarity | 0.7917 | NPC25067 |
Intermediate Similarity | 0.7917 | NPC471535 |
Intermediate Similarity | 0.791 | NPC27394 |
Intermediate Similarity | 0.791 | NPC477210 |
Intermediate Similarity | 0.7907 | NPC289459 |
Intermediate Similarity | 0.7903 | NPC471498 |
Intermediate Similarity | 0.7903 | NPC471503 |
Intermediate Similarity | 0.7903 | NPC240664 |
Intermediate Similarity | 0.7899 | NPC291837 |
Intermediate Similarity | 0.7899 | NPC469564 |
Intermediate Similarity | 0.7895 | NPC137669 |
Intermediate Similarity | 0.7895 | NPC474635 |
Intermediate Similarity | 0.7891 | NPC279379 |
Intermediate Similarity | 0.7891 | NPC261992 |
Intermediate Similarity | 0.7881 | NPC30416 |
Intermediate Similarity | 0.7879 | NPC11089 |
Intermediate Similarity | 0.7874 | NPC70752 |
Intermediate Similarity | 0.7869 | NPC303522 |
Intermediate Similarity | 0.7863 | NPC469453 |
Intermediate Similarity | 0.7863 | NPC38079 |
Intermediate Similarity | 0.7863 | NPC219923 |
Intermediate Similarity | 0.7863 | NPC108875 |
Intermediate Similarity | 0.7863 | NPC130817 |
Intermediate Similarity | 0.7863 | NPC109637 |
Intermediate Similarity | 0.7857 | NPC328485 |
Intermediate Similarity | 0.7857 | NPC202474 |
Intermediate Similarity | 0.7846 | NPC474632 |
Intermediate Similarity | 0.7846 | NPC474476 |
Intermediate Similarity | 0.7845 | NPC51633 |
Intermediate Similarity | 0.7845 | NPC307425 |
Intermediate Similarity | 0.7845 | NPC84325 |
Intermediate Similarity | 0.7845 | NPC94343 |
Intermediate Similarity | 0.7842 | NPC474154 |
Intermediate Similarity | 0.784 | NPC277460 |
Intermediate Similarity | 0.784 | NPC159916 |
Intermediate Similarity | 0.784 | NPC309434 |
Intermediate Similarity | 0.784 | NPC203124 |
Intermediate Similarity | 0.7836 | NPC277021 |
Intermediate Similarity | 0.7829 | NPC140521 |
Intermediate Similarity | 0.7829 | NPC246704 |
Intermediate Similarity | 0.7829 | NPC248557 |
Intermediate Similarity | 0.7826 | NPC300611 |
Intermediate Similarity | 0.782 | NPC474143 |
Intermediate Similarity | 0.782 | NPC258073 |
Intermediate Similarity | 0.782 | NPC474246 |
Intermediate Similarity | 0.781 | NPC265335 |
Intermediate Similarity | 0.781 | NPC13067 |
Intermediate Similarity | 0.7805 | NPC114918 |
TTD   | DIB010778 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 314.15 |
ALogP   | 2.0276 |
MLogP   | 3.11 |
XLogP   | 3.403 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 9 |
TPSA   | 55.76 |
RO5 Violation   | 0 |