Drug ID:   | NPD750 |
Drug Name:   | Indoximod |
Molecular Formula:   | C12H14N2O2 |
Canonical SMILES:   | OC(=O)[C@@H](Cc1cn(c2c1cccc2)C)N |
Standard InCHI:   | InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1 |
Standard InCHIKey:   | ZADWXFSZEAPBJS-SNVBAGLBSA-N |
Max Developmental Stage:   | Phase 2 |
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 | 0.9623 | NPC267885 |
High Similarity | 0.956 | NPC149155 |
High Similarity | 0.956 | NPC203468 |
High Similarity | 0.956 | NPC110500 |
High Similarity | 0.9503 | NPC126709 |
High Similarity | 0.9503 | NPC248041 |
High Similarity | 0.9383 | NPC283219 |
High Similarity | 0.9321 | NPC145885 |
High Similarity | 0.9321 | NPC84827 |
High Similarity | 0.9321 | NPC14113 |
High Similarity | 0.9308 | NPC78020 |
High Similarity | 0.9162 | NPC235684 |
High Similarity | 0.8941 | NPC321708 |
High Similarity | 0.8916 | NPC55772 |
High Similarity | 0.8855 | NPC111275 |
High Similarity | 0.8851 | NPC179701 |
High Similarity | 0.88 | NPC262898 |
High Similarity | 0.8704 | NPC282231 |
High Similarity | 0.869 | NPC219336 |
High Similarity | 0.869 | NPC213468 |
High Similarity | 0.8642 | NPC279918 |
High Similarity | 0.8631 | NPC183662 |
High Similarity | 0.8631 | NPC15573 |
High Similarity | 0.8631 | NPC217372 |
High Similarity | 0.8605 | NPC315555 |
High Similarity | 0.8545 | NPC160105 |
High Similarity | 0.8545 | NPC474561 |
High Similarity | 0.8545 | NPC49954 |
High Similarity | 0.8512 | NPC469938 |
Intermediate Similarity | 0.8497 | NPC62749 |
Intermediate Similarity | 0.8488 | NPC228835 |
Intermediate Similarity | 0.8471 | NPC11126 |
Intermediate Similarity | 0.8462 | NPC473376 |
Intermediate Similarity | 0.8448 | NPC17059 |
Intermediate Similarity | 0.8444 | NPC315491 |
Intermediate Similarity | 0.8444 | NPC45459 |
Intermediate Similarity | 0.8434 | NPC54988 |
Intermediate Similarity | 0.84 | NPC213629 |
Intermediate Similarity | 0.8383 | NPC63751 |
Intermediate Similarity | 0.8372 | NPC71037 |
Intermediate Similarity | 0.8363 | NPC248462 |
Intermediate Similarity | 0.8352 | NPC476874 |
Intermediate Similarity | 0.8343 | NPC314603 |
Intermediate Similarity | 0.8333 | NPC469763 |
Intermediate Similarity | 0.8333 | NPC73952 |
Intermediate Similarity | 0.8333 | NPC469786 |
Intermediate Similarity | 0.8333 | NPC469765 |
Intermediate Similarity | 0.8333 | NPC259644 |
Intermediate Similarity | 0.8333 | NPC25008 |
Intermediate Similarity | 0.8333 | NPC469760 |
Intermediate Similarity | 0.8314 | NPC469896 |
Intermediate Similarity | 0.8313 | NPC194640 |
Intermediate Similarity | 0.8304 | NPC64436 |
Intermediate Similarity | 0.8287 | NPC293917 |
Intermediate Similarity | 0.8286 | NPC94752 |
Intermediate Similarity | 0.8282 | NPC212376 |
Intermediate Similarity | 0.8282 | NPC75540 |
Intermediate Similarity | 0.8282 | NPC80597 |
Intermediate Similarity | 0.8282 | NPC211572 |
Intermediate Similarity | 0.8282 | NPC70922 |
Intermediate Similarity | 0.828 | NPC478158 |
Intermediate Similarity | 0.8278 | NPC272483 |
Intermediate Similarity | 0.8232 | NPC171317 |
Intermediate Similarity | 0.8202 | NPC473763 |
Intermediate Similarity | 0.8202 | NPC117244 |
Intermediate Similarity | 0.8187 | NPC314372 |
Intermediate Similarity | 0.8182 | NPC469762 |
Intermediate Similarity | 0.8176 | NPC190296 |
Intermediate Similarity | 0.8161 | NPC233936 |
Intermediate Similarity | 0.8152 | NPC57398 |
Intermediate Similarity | 0.8146 | NPC83111 |
Intermediate Similarity | 0.8133 | NPC230869 |
Intermediate Similarity | 0.8121 | NPC469785 |
Intermediate Similarity | 0.8114 | NPC469358 |
Intermediate Similarity | 0.8105 | NPC54744 |
Intermediate Similarity | 0.8095 | NPC311276 |
Intermediate Similarity | 0.8092 | NPC59269 |
Intermediate Similarity | 0.8092 | NPC248454 |
Intermediate Similarity | 0.8077 | NPC227582 |
Intermediate Similarity | 0.8072 | NPC129721 |
Intermediate Similarity | 0.8068 | NPC165495 |
Intermediate Similarity | 0.8063 | NPC478157 |
Intermediate Similarity | 0.8053 | NPC207020 |
Intermediate Similarity | 0.8043 | NPC213308 |
Intermediate Similarity | 0.8034 | NPC278434 |
Intermediate Similarity | 0.8034 | NPC472323 |
Intermediate Similarity | 0.8011 | NPC88315 |
Intermediate Similarity | 0.8011 | NPC143533 |
Intermediate Similarity | 0.8 | NPC15840 |
Intermediate Similarity | 0.8 | NPC91179 |
Intermediate Similarity | 0.7989 | NPC175474 |
Intermediate Similarity | 0.7979 | NPC54420 |
Intermediate Similarity | 0.7976 | NPC131718 |
Intermediate Similarity | 0.7969 | NPC313640 |
Intermediate Similarity | 0.7963 | NPC159856 |
Intermediate Similarity | 0.7958 | NPC75634 |
Intermediate Similarity | 0.7946 | NPC252338 |
Intermediate Similarity | 0.7944 | NPC154339 |
Intermediate Similarity | 0.7938 | NPC281049 |
Intermediate Similarity | 0.7935 | NPC473640 |
Intermediate Similarity | 0.7923 | NPC11445 |
Intermediate Similarity | 0.7917 | NPC229348 |
Intermediate Similarity | 0.7912 | NPC267343 |
Intermediate Similarity | 0.791 | NPC163055 |
Intermediate Similarity | 0.7906 | NPC82370 |
Intermediate Similarity | 0.7904 | NPC285469 |
Intermediate Similarity | 0.7903 | NPC475506 |
Intermediate Similarity | 0.7895 | NPC162860 |
Intermediate Similarity | 0.7892 | NPC100321 |
Intermediate Similarity | 0.7882 | NPC40779 |
Intermediate Similarity | 0.788 | NPC156704 |
Intermediate Similarity | 0.7879 | NPC24678 |
Intermediate Similarity | 0.7879 | NPC105818 |
Intermediate Similarity | 0.7877 | NPC474707 |
Intermediate Similarity | 0.7875 | NPC73767 |
Intermediate Similarity | 0.7875 | NPC110126 |
Intermediate Similarity | 0.7869 | NPC195239 |
Intermediate Similarity | 0.7869 | NPC157828 |
Intermediate Similarity | 0.7869 | NPC202812 |
Intermediate Similarity | 0.7866 | NPC471957 |
Intermediate Similarity | 0.7865 | NPC472119 |
Intermediate Similarity | 0.7862 | NPC84911 |
Intermediate Similarity | 0.7861 | NPC193761 |
Intermediate Similarity | 0.7861 | NPC155143 |
Intermediate Similarity | 0.7853 | NPC113626 |
Intermediate Similarity | 0.7849 | NPC201700 |
Intermediate Similarity | 0.7838 | NPC67288 |
Intermediate Similarity | 0.7838 | NPC131887 |
Intermediate Similarity | 0.7838 | NPC149708 |
Intermediate Similarity | 0.7833 | NPC204565 |
Intermediate Similarity | 0.7833 | NPC317030 |
Intermediate Similarity | 0.7826 | NPC245916 |
Intermediate Similarity | 0.7802 | NPC138370 |
Intermediate Similarity | 0.7799 | NPC96102 |
Intermediate Similarity | 0.7799 | NPC261195 |
Intermediate Similarity | 0.7799 | NPC29886 |
Intermediate Similarity | 0.779 | NPC173028 |
Intermediate Similarity | 0.779 | NPC65215 |
Intermediate Similarity | 0.7789 | NPC88008 |
Intermediate Similarity | 0.7789 | NPC323927 |
Intermediate Similarity | 0.7778 | NPC102423 |
Intermediate Similarity | 0.7772 | NPC294693 |
Intermediate Similarity | 0.7772 | NPC57994 |
Intermediate Similarity | 0.7772 | NPC289299 |
Intermediate Similarity | 0.7766 | NPC476073 |
Intermediate Similarity | 0.7754 | NPC470497 |
Intermediate Similarity | 0.775 | NPC105127 |
Intermediate Similarity | 0.7747 | NPC329858 |
Intermediate Similarity | 0.7747 | NPC314333 |
Intermediate Similarity | 0.7742 | NPC306376 |
Intermediate Similarity | 0.7742 | NPC52557 |
Intermediate Similarity | 0.7725 | NPC476098 |
Intermediate Similarity | 0.7722 | NPC188387 |
Intermediate Similarity | 0.7722 | NPC163421 |
Intermediate Similarity | 0.7722 | NPC314002 |
Intermediate Similarity | 0.7722 | NPC280290 |
Intermediate Similarity | 0.7719 | NPC16667 |
Intermediate Similarity | 0.7717 | NPC247735 |
Intermediate Similarity | 0.7717 | NPC81802 |
Intermediate Similarity | 0.7717 | NPC472210 |
Intermediate Similarity | 0.7717 | NPC269886 |
Intermediate Similarity | 0.7717 | NPC472295 |
Intermediate Similarity | 0.7716 | NPC469780 |
Intermediate Similarity | 0.7716 | NPC469779 |
Intermediate Similarity | 0.7716 | NPC469768 |
Intermediate Similarity | 0.7716 | NPC469783 |
Intermediate Similarity | 0.7716 | NPC469784 |
Intermediate Similarity | 0.7716 | NPC469761 |
Intermediate Similarity | 0.7716 | NPC469767 |
Intermediate Similarity | 0.7713 | NPC300183 |
Intermediate Similarity | 0.7709 | NPC159125 |
Intermediate Similarity | 0.7708 | NPC223791 |
Intermediate Similarity | 0.7708 | NPC107077 |
Intermediate Similarity | 0.7701 | NPC74413 |
Intermediate Similarity | 0.7692 | NPC196251 |
Intermediate Similarity | 0.7692 | NPC111602 |
Intermediate Similarity | 0.7692 | NPC102338 |
Intermediate Similarity | 0.7692 | NPC63199 |
Intermediate Similarity | 0.7688 | NPC56233 |
Intermediate Similarity | 0.7688 | NPC114637 |
Intermediate Similarity | 0.7684 | NPC234987 |
Intermediate Similarity | 0.768 | NPC471194 |
Intermediate Similarity | 0.768 | NPC153980 |
Intermediate Similarity | 0.768 | NPC478077 |
Intermediate Similarity | 0.768 | NPC471193 |
Intermediate Similarity | 0.768 | NPC6865 |
Intermediate Similarity | 0.768 | NPC171171 |
Intermediate Similarity | 0.7679 | NPC200214 |
Intermediate Similarity | 0.7669 | NPC469766 |
Intermediate Similarity | 0.7667 | NPC204717 |
Intermediate Similarity | 0.7663 | NPC472292 |
Intermediate Similarity | 0.766 | NPC79129 |
Intermediate Similarity | 0.766 | NPC249150 |
Intermediate Similarity | 0.766 | NPC195461 |
Intermediate Similarity | 0.766 | NPC313985 |
Intermediate Similarity | 0.766 | NPC49196 |
Intermediate Similarity | 0.766 | NPC81654 |
Intermediate Similarity | 0.765 | NPC95783 |
Intermediate Similarity | 0.7647 | NPC470499 |
Intermediate Similarity | 0.7647 | NPC50503 |
TTD   | DNCL003647; DNCL002238 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 405012 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 218.11 |
ALogP   | -0.9689 |
MLogP   | 2.34 |
XLogP   | -0.721 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 68.25 |
RO5 Violation   | 0 |