Drug ID:   | NPD5844 |
Drug Name:   | Palomid-529 |
Molecular Formula:   | C24H22O6 |
Canonical SMILES:   | COc1ccc(cc1)COc1cc2oc(=O)c3c(c2cc1OC)ccc(c3)C(O)C |
Standard InCHI:   | InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3 |
Standard InCHIKey:   | YEAHTLOYHVWAKW-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 | 0.9212 | NPC313304 |
High Similarity | 0.9091 | NPC234331 |
High Similarity | 0.9085 | NPC112981 |
High Similarity | 0.908 | NPC249070 |
High Similarity | 0.9036 | NPC49487 |
High Similarity | 0.9036 | NPC99613 |
High Similarity | 0.9036 | NPC476279 |
High Similarity | 0.903 | NPC20216 |
High Similarity | 0.903 | NPC29160 |
High Similarity | 0.9024 | NPC156082 |
High Similarity | 0.9024 | NPC197168 |
High Similarity | 0.8982 | NPC52598 |
High Similarity | 0.897 | NPC142614 |
High Similarity | 0.897 | NPC25361 |
High Similarity | 0.8957 | NPC53889 |
High Similarity | 0.8957 | NPC24164 |
High Similarity | 0.8929 | NPC158226 |
High Similarity | 0.8922 | NPC165979 |
High Similarity | 0.8922 | NPC163130 |
High Similarity | 0.8909 | NPC474350 |
High Similarity | 0.8909 | NPC67959 |
High Similarity | 0.8896 | NPC87317 |
High Similarity | 0.8882 | NPC67629 |
High Similarity | 0.8882 | NPC79736 |
High Similarity | 0.8876 | NPC181523 |
High Similarity | 0.8869 | NPC109827 |
High Similarity | 0.8869 | NPC124470 |
High Similarity | 0.8869 | NPC17219 |
High Similarity | 0.8862 | NPC272485 |
High Similarity | 0.8862 | NPC292788 |
High Similarity | 0.8848 | NPC108767 |
High Similarity | 0.8848 | NPC476247 |
High Similarity | 0.8841 | NPC24627 |
High Similarity | 0.8837 | NPC53680 |
High Similarity | 0.8837 | NPC208797 |
High Similarity | 0.8834 | NPC114179 |
High Similarity | 0.8834 | NPC156818 |
High Similarity | 0.8834 | NPC68324 |
High Similarity | 0.8834 | NPC167098 |
High Similarity | 0.8834 | NPC160512 |
High Similarity | 0.8834 | NPC289322 |
High Similarity | 0.8834 | NPC296044 |
High Similarity | 0.8834 | NPC38779 |
High Similarity | 0.883 | NPC267549 |
High Similarity | 0.8824 | NPC289147 |
High Similarity | 0.882 | NPC474656 |
High Similarity | 0.8817 | NPC81332 |
High Similarity | 0.8817 | NPC212038 |
High Similarity | 0.8817 | NPC262580 |
High Similarity | 0.8817 | NPC271848 |
High Similarity | 0.8817 | NPC289396 |
High Similarity | 0.8817 | NPC4200 |
High Similarity | 0.8802 | NPC128293 |
High Similarity | 0.8802 | NPC43319 |
High Similarity | 0.8802 | NPC472452 |
High Similarity | 0.8802 | NPC272502 |
High Similarity | 0.8788 | NPC177100 |
High Similarity | 0.8788 | NPC124747 |
High Similarity | 0.8788 | NPC474187 |
High Similarity | 0.8788 | NPC109061 |
High Similarity | 0.8788 | NPC139540 |
High Similarity | 0.8788 | NPC474186 |
High Similarity | 0.8788 | NPC155754 |
High Similarity | 0.8788 | NPC66288 |
High Similarity | 0.878 | NPC37502 |
High Similarity | 0.878 | NPC40702 |
High Similarity | 0.878 | NPC328122 |
High Similarity | 0.878 | NPC267627 |
High Similarity | 0.8773 | NPC300845 |
High Similarity | 0.8773 | NPC104983 |
High Similarity | 0.8773 | NPC250436 |
High Similarity | 0.8773 | NPC318432 |
High Similarity | 0.8773 | NPC291948 |
High Similarity | 0.8773 | NPC88803 |
High Similarity | 0.8773 | NPC165483 |
High Similarity | 0.8772 | NPC297574 |
High Similarity | 0.8772 | NPC196771 |
High Similarity | 0.8757 | NPC180768 |
High Similarity | 0.8757 | NPC20543 |
High Similarity | 0.8757 | NPC246716 |
High Similarity | 0.8757 | NPC239440 |
High Similarity | 0.8757 | NPC10576 |
High Similarity | 0.875 | NPC150131 |
High Similarity | 0.875 | NPC117854 |
High Similarity | 0.875 | NPC300983 |
High Similarity | 0.875 | NPC474024 |
High Similarity | 0.875 | NPC477154 |
High Similarity | 0.875 | NPC6588 |
High Similarity | 0.875 | NPC218226 |
High Similarity | 0.8743 | NPC105591 |
High Similarity | 0.8743 | NPC471788 |
High Similarity | 0.8735 | NPC229632 |
High Similarity | 0.8735 | NPC55121 |
High Similarity | 0.8735 | NPC476372 |
High Similarity | 0.8735 | NPC476371 |
High Similarity | 0.8735 | NPC476200 |
High Similarity | 0.8735 | NPC192258 |
High Similarity | 0.8728 | NPC125352 |
High Similarity | 0.8727 | NPC474287 |
High Similarity | 0.8727 | NPC36217 |
High Similarity | 0.8727 | NPC475886 |
High Similarity | 0.8727 | NPC299436 |
High Similarity | 0.8721 | NPC246877 |
High Similarity | 0.8721 | NPC207467 |
High Similarity | 0.872 | NPC165977 |
High Similarity | 0.872 | NPC247713 |
High Similarity | 0.872 | NPC217677 |
High Similarity | 0.872 | NPC108456 |
High Similarity | 0.872 | NPC143328 |
High Similarity | 0.8713 | NPC199533 |
High Similarity | 0.8713 | NPC470454 |
High Similarity | 0.8713 | NPC146803 |
High Similarity | 0.8712 | NPC222185 |
High Similarity | 0.8706 | NPC471920 |
High Similarity | 0.8706 | NPC260263 |
High Similarity | 0.8706 | NPC292712 |
High Similarity | 0.8706 | NPC129930 |
High Similarity | 0.8706 | NPC312006 |
High Similarity | 0.8706 | NPC20114 |
High Similarity | 0.8706 | NPC474075 |
High Similarity | 0.8706 | NPC471921 |
High Similarity | 0.8706 | NPC114550 |
High Similarity | 0.8706 | NPC471922 |
High Similarity | 0.8704 | NPC273483 |
High Similarity | 0.8704 | NPC476154 |
High Similarity | 0.8698 | NPC26568 |
High Similarity | 0.8698 | NPC300307 |
High Similarity | 0.869 | NPC37870 |
High Similarity | 0.8683 | NPC270837 |
High Similarity | 0.8683 | NPC236132 |
High Similarity | 0.8683 | NPC186686 |
High Similarity | 0.8683 | NPC7483 |
High Similarity | 0.8683 | NPC477689 |
High Similarity | 0.8678 | NPC129533 |
High Similarity | 0.8678 | NPC123259 |
High Similarity | 0.8675 | NPC142252 |
High Similarity | 0.8675 | NPC474351 |
High Similarity | 0.8675 | NPC475883 |
High Similarity | 0.8671 | NPC113446 |
High Similarity | 0.8671 | NPC473785 |
High Similarity | 0.8671 | NPC80956 |
High Similarity | 0.8671 | NPC212290 |
High Similarity | 0.8667 | NPC166456 |
High Similarity | 0.8667 | NPC94220 |
High Similarity | 0.8667 | NPC45846 |
High Similarity | 0.8667 | NPC24339 |
High Similarity | 0.8667 | NPC125713 |
High Similarity | 0.8667 | NPC85121 |
High Similarity | 0.8667 | NPC98083 |
High Similarity | 0.8667 | NPC7543 |
High Similarity | 0.8659 | NPC227062 |
High Similarity | 0.8659 | NPC146211 |
High Similarity | 0.8659 | NPC78492 |
High Similarity | 0.8659 | NPC208152 |
High Similarity | 0.8655 | NPC219600 |
High Similarity | 0.8655 | NPC166674 |
High Similarity | 0.8655 | NPC263119 |
High Similarity | 0.8655 | NPC46640 |
High Similarity | 0.8655 | NPC34436 |
High Similarity | 0.8647 | NPC103307 |
High Similarity | 0.8647 | NPC1827 |
High Similarity | 0.8647 | NPC298778 |
High Similarity | 0.8642 | NPC228662 |
High Similarity | 0.8639 | NPC243877 |
High Similarity | 0.8639 | NPC225419 |
High Similarity | 0.8639 | NPC473818 |
High Similarity | 0.8639 | NPC14662 |
High Similarity | 0.8634 | NPC473091 |
High Similarity | 0.8631 | NPC239752 |
High Similarity | 0.8631 | NPC293319 |
High Similarity | 0.8631 | NPC303174 |
High Similarity | 0.8631 | NPC326520 |
High Similarity | 0.8631 | NPC472450 |
High Similarity | 0.8631 | NPC26386 |
High Similarity | 0.8631 | NPC275780 |
High Similarity | 0.8623 | NPC174311 |
High Similarity | 0.8623 | NPC472964 |
High Similarity | 0.8623 | NPC294965 |
High Similarity | 0.8623 | NPC474033 |
High Similarity | 0.8623 | NPC42797 |
High Similarity | 0.8623 | NPC473445 |
High Similarity | 0.8623 | NPC474034 |
High Similarity | 0.8623 | NPC201800 |
High Similarity | 0.8621 | NPC208069 |
High Similarity | 0.8621 | NPC8940 |
High Similarity | 0.8614 | NPC321399 |
High Similarity | 0.8614 | NPC14353 |
High Similarity | 0.8614 | NPC47623 |
High Similarity | 0.8614 | NPC472902 |
High Similarity | 0.8614 | NPC475784 |
High Similarity | 0.8614 | NPC476373 |
High Similarity | 0.8614 | NPC56085 |
High Similarity | 0.8614 | NPC228785 |
High Similarity | 0.8613 | NPC47191 |
High Similarity | 0.8613 | NPC472387 |
High Similarity | 0.8606 | NPC472598 |
High Similarity | 0.8606 | NPC473272 |
High Similarity | 0.8606 | NPC181960 |
High Similarity | 0.8606 | NPC474055 |
High Similarity | 0.8606 | NPC223787 |
TTD   | DIB012558 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 406.14 |
ALogP   | -0.7966 |
MLogP   | 3.44 |
XLogP   | 4.448 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 74.22 |
RO5 Violation   | 0 |