Drug ID:   | NPD4462 |
Drug Name:   | Panobinostat Lactate |
Molecular Formula:   | C21H23N3O2.C3H6O3 |
Canonical SMILES:   | OC(=O)C(O)C.ON=C(/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2)O |
Standard InCHI:   | InChI=1S/C21H23N3O2.C3H6O3/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+; |
Standard InCHIKey:   | XVDWNSFFSMWXJJ-ASTDGNLGSA-N |
Max Developmental Stage:   | Approved |
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 | 0.898 | NPC37548 |
High Similarity | 0.8966 | NPC242556 |
High Similarity | 0.8919 | NPC24678 |
High Similarity | 0.8919 | NPC105818 |
High Similarity | 0.8816 | NPC92796 |
High Similarity | 0.8816 | NPC135141 |
High Similarity | 0.8776 | NPC159856 |
High Similarity | 0.8742 | NPC470507 |
High Similarity | 0.8742 | NPC38736 |
High Similarity | 0.8725 | NPC187951 |
High Similarity | 0.8725 | NPC124005 |
High Similarity | 0.8649 | NPC314372 |
High Similarity | 0.8639 | NPC190296 |
High Similarity | 0.8592 | NPC475450 |
High Similarity | 0.8521 | NPC22079 |
High Similarity | 0.85 | NPC250361 |
Intermediate Similarity | 0.8497 | NPC471458 |
Intermediate Similarity | 0.8483 | NPC325252 |
Intermediate Similarity | 0.8467 | NPC129042 |
Intermediate Similarity | 0.8451 | NPC473587 |
Intermediate Similarity | 0.8442 | NPC184476 |
Intermediate Similarity | 0.8431 | NPC469763 |
Intermediate Similarity | 0.8431 | NPC469765 |
Intermediate Similarity | 0.8431 | NPC259644 |
Intermediate Similarity | 0.8431 | NPC25008 |
Intermediate Similarity | 0.8431 | NPC469760 |
Intermediate Similarity | 0.8431 | NPC73952 |
Intermediate Similarity | 0.8431 | NPC469786 |
Intermediate Similarity | 0.8414 | NPC198988 |
Intermediate Similarity | 0.8408 | NPC472587 |
Intermediate Similarity | 0.8392 | NPC475428 |
Intermediate Similarity | 0.8387 | NPC299594 |
Intermediate Similarity | 0.838 | NPC473762 |
Intermediate Similarity | 0.8378 | NPC469780 |
Intermediate Similarity | 0.8378 | NPC469767 |
Intermediate Similarity | 0.8378 | NPC469783 |
Intermediate Similarity | 0.8378 | NPC469761 |
Intermediate Similarity | 0.8378 | NPC2949 |
Intermediate Similarity | 0.8378 | NPC469784 |
Intermediate Similarity | 0.8378 | NPC469768 |
Intermediate Similarity | 0.8378 | NPC469779 |
Intermediate Similarity | 0.8378 | NPC59084 |
Intermediate Similarity | 0.8377 | NPC212376 |
Intermediate Similarity | 0.8377 | NPC70922 |
Intermediate Similarity | 0.8377 | NPC211572 |
Intermediate Similarity | 0.8377 | NPC75540 |
Intermediate Similarity | 0.8377 | NPC80597 |
Intermediate Similarity | 0.8356 | NPC218268 |
Intermediate Similarity | 0.8333 | NPC179365 |
Intermediate Similarity | 0.8323 | NPC285469 |
Intermediate Similarity | 0.8322 | NPC473868 |
Intermediate Similarity | 0.8322 | NPC469766 |
Intermediate Similarity | 0.8322 | NPC63157 |
Intermediate Similarity | 0.8311 | NPC73767 |
Intermediate Similarity | 0.8301 | NPC53947 |
Intermediate Similarity | 0.8299 | NPC84911 |
Intermediate Similarity | 0.8289 | NPC471957 |
Intermediate Similarity | 0.828 | NPC473320 |
Intermediate Similarity | 0.8278 | NPC470440 |
Intermediate Similarity | 0.8276 | NPC473930 |
Intermediate Similarity | 0.8269 | NPC469762 |
Intermediate Similarity | 0.8255 | NPC115611 |
Intermediate Similarity | 0.825 | NPC63751 |
Intermediate Similarity | 0.8232 | NPC176199 |
Intermediate Similarity | 0.8232 | NPC215795 |
Intermediate Similarity | 0.8231 | NPC29886 |
Intermediate Similarity | 0.8231 | NPC261195 |
Intermediate Similarity | 0.8231 | NPC96102 |
Intermediate Similarity | 0.8224 | NPC288838 |
Intermediate Similarity | 0.8214 | NPC41174 |
Intermediate Similarity | 0.8205 | NPC141353 |
Intermediate Similarity | 0.8205 | NPC469785 |
Intermediate Similarity | 0.8188 | NPC110126 |
Intermediate Similarity | 0.8188 | NPC312092 |
Intermediate Similarity | 0.8188 | NPC88097 |
Intermediate Similarity | 0.8187 | NPC49954 |
Intermediate Similarity | 0.8187 | NPC474561 |
Intermediate Similarity | 0.8182 | NPC33421 |
Intermediate Similarity | 0.8176 | NPC311276 |
Intermediate Similarity | 0.8176 | NPC105127 |
Intermediate Similarity | 0.8176 | NPC271734 |
Intermediate Similarity | 0.8165 | NPC131718 |
Intermediate Similarity | 0.8148 | NPC470498 |
Intermediate Similarity | 0.8148 | NPC6982 |
Intermediate Similarity | 0.8113 | NPC16667 |
Intermediate Similarity | 0.8113 | NPC282231 |
Intermediate Similarity | 0.8098 | NPC313791 |
Intermediate Similarity | 0.8098 | NPC34508 |
Intermediate Similarity | 0.8086 | NPC194411 |
Intermediate Similarity | 0.8075 | NPC49217 |
Intermediate Similarity | 0.8075 | NPC160105 |
Intermediate Similarity | 0.8063 | NPC40779 |
Intermediate Similarity | 0.8054 | NPC125746 |
Intermediate Similarity | 0.8052 | NPC21605 |
Intermediate Similarity | 0.805 | NPC279918 |
Intermediate Similarity | 0.8039 | NPC204141 |
Intermediate Similarity | 0.8038 | NPC286427 |
Intermediate Similarity | 0.8025 | NPC207726 |
Intermediate Similarity | 0.8025 | NPC201700 |
Intermediate Similarity | 0.8013 | NPC216713 |
Intermediate Similarity | 0.8013 | NPC279081 |
Intermediate Similarity | 0.8 | NPC321911 |
Intermediate Similarity | 0.8 | NPC288785 |
Intermediate Similarity | 0.8 | NPC2272 |
Intermediate Similarity | 0.7987 | NPC221786 |
Intermediate Similarity | 0.7987 | NPC475990 |
Intermediate Similarity | 0.7987 | NPC206819 |
Intermediate Similarity | 0.7987 | NPC56765 |
Intermediate Similarity | 0.7987 | NPC41257 |
Intermediate Similarity | 0.7987 | NPC474880 |
Intermediate Similarity | 0.7987 | NPC318065 |
Intermediate Similarity | 0.7963 | NPC109447 |
Intermediate Similarity | 0.7962 | NPC200214 |
Intermediate Similarity | 0.7962 | NPC325903 |
Intermediate Similarity | 0.7959 | NPC82295 |
Intermediate Similarity | 0.7952 | NPC68354 |
Intermediate Similarity | 0.7952 | NPC59269 |
Intermediate Similarity | 0.795 | NPC194640 |
Intermediate Similarity | 0.795 | NPC476118 |
Intermediate Similarity | 0.795 | NPC102423 |
Intermediate Similarity | 0.7939 | NPC37423 |
Intermediate Similarity | 0.7939 | NPC275305 |
Intermediate Similarity | 0.7937 | NPC215584 |
Intermediate Similarity | 0.7937 | NPC44773 |
Intermediate Similarity | 0.7935 | NPC477134 |
Intermediate Similarity | 0.7935 | NPC179787 |
Intermediate Similarity | 0.7935 | NPC469811 |
Intermediate Similarity | 0.7935 | NPC201380 |
Intermediate Similarity | 0.7925 | NPC216643 |
Intermediate Similarity | 0.7925 | NPC236711 |
Intermediate Similarity | 0.7904 | NPC270009 |
Intermediate Similarity | 0.7895 | NPC230002 |
Intermediate Similarity | 0.7879 | NPC314603 |
Intermediate Similarity | 0.7875 | NPC67056 |
Intermediate Similarity | 0.7871 | NPC63545 |
Intermediate Similarity | 0.7871 | NPC143872 |
Intermediate Similarity | 0.7866 | NPC280548 |
Intermediate Similarity | 0.7853 | NPC54988 |
Intermediate Similarity | 0.7844 | NPC248454 |
Intermediate Similarity | 0.7844 | NPC151939 |
Intermediate Similarity | 0.784 | NPC90723 |
Intermediate Similarity | 0.784 | NPC21174 |
Intermediate Similarity | 0.784 | NPC271797 |
Intermediate Similarity | 0.784 | NPC8104 |
Intermediate Similarity | 0.7831 | NPC329688 |
Intermediate Similarity | 0.7831 | NPC189812 |
Intermediate Similarity | 0.7829 | NPC104483 |
Intermediate Similarity | 0.7826 | NPC229173 |
Intermediate Similarity | 0.7811 | NPC192270 |
Intermediate Similarity | 0.7805 | NPC317430 |
Intermediate Similarity | 0.7798 | NPC213468 |
Intermediate Similarity | 0.7785 | NPC470233 |
Intermediate Similarity | 0.7778 | NPC284635 |
Intermediate Similarity | 0.7778 | NPC280290 |
Intermediate Similarity | 0.7771 | NPC472123 |
Intermediate Similarity | 0.7764 | NPC230869 |
Intermediate Similarity | 0.7751 | NPC198339 |
Intermediate Similarity | 0.7751 | NPC300688 |
Intermediate Similarity | 0.7738 | NPC293472 |
Intermediate Similarity | 0.7733 | NPC94752 |
Intermediate Similarity | 0.7719 | NPC472294 |
Intermediate Similarity | 0.7714 | NPC99666 |
Intermediate Similarity | 0.7707 | NPC470111 |
Intermediate Similarity | 0.7697 | NPC154293 |
Intermediate Similarity | 0.7692 | NPC11126 |
Intermediate Similarity | 0.7692 | NPC472443 |
Intermediate Similarity | 0.7688 | NPC476219 |
Intermediate Similarity | 0.7688 | NPC476297 |
Intermediate Similarity | 0.7683 | NPC470508 |
Intermediate Similarity | 0.7673 | NPC470823 |
Intermediate Similarity | 0.7669 | NPC470203 |
Intermediate Similarity | 0.7665 | NPC161861 |
Intermediate Similarity | 0.7661 | NPC163055 |
Intermediate Similarity | 0.7661 | NPC19679 |
Intermediate Similarity | 0.7647 | NPC91179 |
Intermediate Similarity | 0.764 | NPC51054 |
Intermediate Similarity | 0.7636 | NPC470509 |
Intermediate Similarity | 0.7625 | NPC141926 |
Intermediate Similarity | 0.7622 | NPC317105 |
Intermediate Similarity | 0.7616 | NPC228835 |
Intermediate Similarity | 0.761 | NPC148592 |
Intermediate Similarity | 0.7607 | NPC470204 |
Intermediate Similarity | 0.7606 | NPC81561 |
Intermediate Similarity | 0.7602 | NPC233936 |
Intermediate Similarity | 0.759 | NPC78020 |
Intermediate Similarity | 0.7588 | NPC72980 |
Intermediate Similarity | 0.7588 | NPC219336 |
Intermediate Similarity | 0.7582 | NPC314102 |
Intermediate Similarity | 0.7582 | NPC150259 |
Intermediate Similarity | 0.7582 | NPC251722 |
Intermediate Similarity | 0.7578 | NPC34844 |
Intermediate Similarity | 0.7574 | NPC267885 |
Intermediate Similarity | 0.7572 | NPC473189 |
Intermediate Similarity | 0.7572 | NPC133003 |
Intermediate Similarity | 0.7572 | NPC314002 |
Intermediate Similarity | 0.7572 | NPC15102 |
Intermediate Similarity | 0.7572 | NPC476319 |
Intermediate Similarity | 0.756 | NPC97525 |
Intermediate Similarity | 0.756 | NPC474409 |
Intermediate Similarity | 0.756 | NPC64055 |
Molecular Weight   | 349.18 |
ALogP   | 0.0407 |
MLogP   | 3.22 |
XLogP   | 5.601 |
HDA   | 3 |
HBD   | 4 |
Rotatable Bonds   | 10 |
TPSA   | 80.64 |
RO5 Violation   | 1 |