Drug ID:   | NPD1535 |
Drug Name:   | 3,5-diiodothyropropionic acid (Allan-Herndon-Dudley syndrome), Zarion Pharmaceuticals |
Molecular Formula:   | C15H12I2O4 |
Canonical SMILES:   | OC(=O)CCc1cc(I)c(c(c1)I)Oc1ccc(cc1)O |
Standard InCHI:   | InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20) |
Standard InCHIKey:   | WONYMNWUJVKVII-UHFFFAOYSA-N |
Max Developmental Stage:   | Discovery |
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 | 0.9052 | NPC51345 |
High Similarity | 0.8769 | NPC317741 |
High Similarity | 0.8769 | NPC318984 |
High Similarity | 0.8769 | NPC318028 |
High Similarity | 0.8769 | NPC259800 |
High Similarity | 0.8769 | NPC328137 |
High Similarity | 0.8769 | NPC282087 |
High Similarity | 0.8769 | NPC241086 |
High Similarity | 0.875 | NPC264976 |
High Similarity | 0.8626 | NPC326860 |
High Similarity | 0.8626 | NPC197239 |
Intermediate Similarity | 0.8376 | NPC259554 |
Intermediate Similarity | 0.8376 | NPC234639 |
Intermediate Similarity | 0.8333 | NPC89630 |
Intermediate Similarity | 0.8295 | NPC241354 |
Intermediate Similarity | 0.8264 | NPC296526 |
Intermediate Similarity | 0.8244 | NPC307289 |
Intermediate Similarity | 0.8211 | NPC311091 |
Intermediate Similarity | 0.8211 | NPC471033 |
Intermediate Similarity | 0.8197 | NPC128249 |
Intermediate Similarity | 0.8197 | NPC19290 |
Intermediate Similarity | 0.812 | NPC1065 |
Intermediate Similarity | 0.8099 | NPC109241 |
Intermediate Similarity | 0.8083 | NPC233238 |
Intermediate Similarity | 0.8083 | NPC266932 |
Intermediate Similarity | 0.808 | NPC474874 |
Intermediate Similarity | 0.8077 | NPC2596 |
Intermediate Similarity | 0.807 | NPC245561 |
Intermediate Similarity | 0.8067 | NPC79543 |
Intermediate Similarity | 0.8017 | NPC17693 |
Intermediate Similarity | 0.8016 | NPC318357 |
Intermediate Similarity | 0.8 | NPC223616 |
Intermediate Similarity | 0.8 | NPC52472 |
Intermediate Similarity | 0.7984 | NPC3221 |
Intermediate Similarity | 0.7984 | NPC88403 |
Intermediate Similarity | 0.7953 | NPC194416 |
Intermediate Similarity | 0.7953 | NPC177291 |
Intermediate Similarity | 0.7939 | NPC226661 |
Intermediate Similarity | 0.7931 | NPC307425 |
Intermediate Similarity | 0.7923 | NPC474476 |
Intermediate Similarity | 0.7923 | NPC475236 |
Intermediate Similarity | 0.792 | NPC205502 |
Intermediate Similarity | 0.792 | NPC293424 |
Intermediate Similarity | 0.7907 | NPC474237 |
Intermediate Similarity | 0.7903 | NPC163398 |
Intermediate Similarity | 0.7895 | NPC141549 |
Intermediate Similarity | 0.7891 | NPC69403 |
Intermediate Similarity | 0.7891 | NPC291189 |
Intermediate Similarity | 0.7886 | NPC235250 |
Intermediate Similarity | 0.7881 | NPC473855 |
Intermediate Similarity | 0.7881 | NPC13495 |
Intermediate Similarity | 0.7863 | NPC298224 |
Intermediate Similarity | 0.7863 | NPC95034 |
Intermediate Similarity | 0.7863 | NPC142087 |
Intermediate Similarity | 0.7863 | NPC22783 |
Intermediate Similarity | 0.7851 | NPC183700 |
Intermediate Similarity | 0.7846 | NPC280767 |
Intermediate Similarity | 0.7846 | NPC168259 |
Intermediate Similarity | 0.7846 | NPC4164 |
Intermediate Similarity | 0.7845 | NPC107101 |
Intermediate Similarity | 0.7833 | NPC206341 |
Intermediate Similarity | 0.7833 | NPC31274 |
Intermediate Similarity | 0.7829 | NPC473942 |
Intermediate Similarity | 0.7826 | NPC79372 |
Intermediate Similarity | 0.7823 | NPC301321 |
Intermediate Similarity | 0.782 | NPC2989 |
Intermediate Similarity | 0.782 | NPC278787 |
Intermediate Similarity | 0.782 | NPC475102 |
Intermediate Similarity | 0.782 | NPC7569 |
Intermediate Similarity | 0.7815 | NPC113457 |
Intermediate Similarity | 0.7815 | NPC70843 |
Intermediate Similarity | 0.7815 | NPC188677 |
Intermediate Similarity | 0.7803 | NPC201419 |
Intermediate Similarity | 0.7797 | NPC261573 |
Intermediate Similarity | 0.7797 | NPC283546 |
Intermediate Similarity | 0.7797 | NPC120693 |
Intermediate Similarity | 0.7797 | NPC38209 |
Intermediate Similarity | 0.7797 | NPC8931 |
Intermediate Similarity | 0.7795 | NPC14177 |
Intermediate Similarity | 0.777 | NPC183642 |
Intermediate Similarity | 0.777 | NPC310370 |
Intermediate Similarity | 0.7769 | NPC229113 |
Intermediate Similarity | 0.7769 | NPC193805 |
Intermediate Similarity | 0.7769 | NPC221798 |
Intermediate Similarity | 0.7769 | NPC111088 |
Intermediate Similarity | 0.776 | NPC470860 |
Intermediate Similarity | 0.776 | NPC33717 |
Intermediate Similarity | 0.7759 | NPC307039 |
Intermediate Similarity | 0.7752 | NPC311219 |
Intermediate Similarity | 0.7752 | NPC302211 |
Intermediate Similarity | 0.7744 | NPC238309 |
Intermediate Similarity | 0.7744 | NPC473019 |
Intermediate Similarity | 0.7731 | NPC127676 |
Intermediate Similarity | 0.7721 | NPC4982 |
Intermediate Similarity | 0.7721 | NPC5310 |
Intermediate Similarity | 0.7721 | NPC300776 |
Intermediate Similarity | 0.7721 | NPC176814 |
Intermediate Similarity | 0.7721 | NPC68779 |
Intermediate Similarity | 0.7717 | NPC61779 |
Intermediate Similarity | 0.7712 | NPC13426 |
Intermediate Similarity | 0.771 | NPC53305 |
Intermediate Similarity | 0.771 | NPC257589 |
Intermediate Similarity | 0.7705 | NPC88868 |
Intermediate Similarity | 0.7705 | NPC231251 |
Intermediate Similarity | 0.7705 | NPC25067 |
Intermediate Similarity | 0.7705 | NPC141068 |
Intermediate Similarity | 0.7704 | NPC113006 |
Intermediate Similarity | 0.7698 | NPC240664 |
Intermediate Similarity | 0.7692 | NPC93730 |
Intermediate Similarity | 0.7692 | NPC14141 |
Intermediate Similarity | 0.7692 | NPC248786 |
Intermediate Similarity | 0.7687 | NPC109778 |
Intermediate Similarity | 0.7686 | NPC291837 |
Intermediate Similarity | 0.7686 | NPC75440 |
Intermediate Similarity | 0.768 | NPC322358 |
Intermediate Similarity | 0.7674 | NPC187868 |
Intermediate Similarity | 0.7674 | NPC52247 |
Intermediate Similarity | 0.7672 | NPC260000 |
Intermediate Similarity | 0.7669 | NPC2401 |
Intermediate Similarity | 0.7667 | NPC95178 |
Intermediate Similarity | 0.7667 | NPC69332 |
Intermediate Similarity | 0.7667 | NPC29989 |
Intermediate Similarity | 0.7664 | NPC475029 |
Intermediate Similarity | 0.7664 | NPC475011 |
Intermediate Similarity | 0.7664 | NPC248872 |
Intermediate Similarity | 0.7664 | NPC113295 |
Intermediate Similarity | 0.7664 | NPC476018 |
Intermediate Similarity | 0.7656 | NPC193193 |
Intermediate Similarity | 0.7656 | NPC31314 |
Intermediate Similarity | 0.7652 | NPC92207 |
Intermediate Similarity | 0.7652 | NPC90128 |
Intermediate Similarity | 0.7652 | NPC127937 |
Intermediate Similarity | 0.7652 | NPC84076 |
Intermediate Similarity | 0.7652 | NPC303680 |
Intermediate Similarity | 0.7647 | NPC109637 |
Intermediate Similarity | 0.7647 | NPC12987 |
Intermediate Similarity | 0.7647 | NPC2518 |
Intermediate Similarity | 0.7647 | NPC287533 |
Intermediate Similarity | 0.7647 | NPC108875 |
Intermediate Similarity | 0.7647 | NPC474603 |
Intermediate Similarity | 0.7647 | NPC38079 |
Intermediate Similarity | 0.7643 | NPC326065 |
Intermediate Similarity | 0.7643 | NPC170812 |
Intermediate Similarity | 0.7639 | NPC139839 |
Intermediate Similarity | 0.7634 | NPC140521 |
Intermediate Similarity | 0.7634 | NPC288945 |
Intermediate Similarity | 0.763 | NPC250727 |
Intermediate Similarity | 0.763 | NPC258073 |
Intermediate Similarity | 0.7626 | NPC73078 |
Intermediate Similarity | 0.7626 | NPC319870 |
Intermediate Similarity | 0.7626 | NPC327612 |
Intermediate Similarity | 0.7626 | NPC148738 |
Intermediate Similarity | 0.7626 | NPC265335 |
Intermediate Similarity | 0.7623 | NPC326187 |
Intermediate Similarity | 0.7623 | NPC88141 |
Intermediate Similarity | 0.7612 | NPC214246 |
Intermediate Similarity | 0.7612 | NPC474289 |
Intermediate Similarity | 0.7609 | NPC90431 |
Intermediate Similarity | 0.7609 | NPC317045 |
Intermediate Similarity | 0.7609 | NPC246177 |
Intermediate Similarity | 0.7607 | NPC280869 |
Intermediate Similarity | 0.7607 | NPC171843 |
Intermediate Similarity | 0.7606 | NPC474599 |
Intermediate Similarity | 0.7603 | NPC260952 |
Intermediate Similarity | 0.7597 | NPC302107 |
Intermediate Similarity | 0.7594 | NPC281020 |
Intermediate Similarity | 0.7594 | NPC123722 |
Intermediate Similarity | 0.7594 | NPC5018 |
Intermediate Similarity | 0.7594 | NPC71525 |
Intermediate Similarity | 0.7594 | NPC123228 |
Intermediate Similarity | 0.7594 | NPC276466 |
Intermediate Similarity | 0.7594 | NPC151167 |
Intermediate Similarity | 0.7591 | NPC78540 |
Intermediate Similarity | 0.7591 | NPC213216 |
Intermediate Similarity | 0.7591 | NPC274121 |
Intermediate Similarity | 0.7591 | NPC50898 |
Intermediate Similarity | 0.7589 | NPC65833 |
Intermediate Similarity | 0.7589 | NPC472335 |
Intermediate Similarity | 0.7589 | NPC472332 |
Intermediate Similarity | 0.7583 | NPC473393 |
Intermediate Similarity | 0.7583 | NPC8302 |
Intermediate Similarity | 0.7583 | NPC238115 |
Intermediate Similarity | 0.7583 | NPC128730 |
Intermediate Similarity | 0.7583 | NPC470393 |
Intermediate Similarity | 0.7581 | NPC474920 |
Intermediate Similarity | 0.7581 | NPC48525 |
Intermediate Similarity | 0.7578 | NPC299406 |
Intermediate Similarity | 0.7578 | NPC234956 |
Intermediate Similarity | 0.7576 | NPC249836 |
Intermediate Similarity | 0.7576 | NPC133407 |
Intermediate Similarity | 0.7576 | NPC28476 |
Intermediate Similarity | 0.7574 | NPC317601 |
Intermediate Similarity | 0.7574 | NPC329427 |
Intermediate Similarity | 0.7571 | NPC71903 |
Intermediate Similarity | 0.7561 | NPC21162 |
Intermediate Similarity | 0.7561 | NPC63345 |
Intermediate Similarity | 0.7561 | NPC222084 |
Intermediate Similarity | 0.7559 | NPC45104 |
Intermediate Similarity | 0.7559 | NPC263754 |
Intermediate Similarity | 0.7559 | NPC325295 |
TTD   | DIB014330 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 509.88 |
ALogP   | 2.0832 |
MLogP   | 2.45 |
XLogP   | 4.576 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 9 |
TPSA   | 66.76 |
RO5 Violation   | 0 |