Drug ID:   | NPD6467 |
Drug Name:   | Trametinib |
Molecular Formula:   | C26H23FIN5O4 |
Canonical SMILES:   | CC(=Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C)O |
Standard InCHI:   | InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) |
Standard InCHIKey:   | LIRYPHYGHXZJBZ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 |
---|---|---|
Intermediate Similarity | 0.7375 | NPC117032 |
Remote Similarity | 0.6584 | NPC130251 |
Remote Similarity | 0.6566 | NPC109787 |
Remote Similarity | 0.6512 | NPC68650 |
Remote Similarity | 0.6448 | NPC307396 |
Remote Similarity | 0.6438 | NPC300299 |
Remote Similarity | 0.642 | NPC469560 |
Remote Similarity | 0.6389 | NPC14849 |
Remote Similarity | 0.6369 | NPC248862 |
Remote Similarity | 0.6358 | NPC276085 |
Remote Similarity | 0.6358 | NPC154478 |
Remote Similarity | 0.6348 | NPC355 |
Remote Similarity | 0.6341 | NPC186284 |
Remote Similarity | 0.6341 | NPC2823 |
Remote Similarity | 0.6341 | NPC301760 |
Remote Similarity | 0.6341 | NPC22082 |
Remote Similarity | 0.6337 | NPC84317 |
Remote Similarity | 0.6331 | NPC473329 |
Remote Similarity | 0.6324 | NPC135601 |
Remote Similarity | 0.6324 | NPC17273 |
Remote Similarity | 0.6324 | NPC141612 |
Remote Similarity | 0.6319 | NPC83214 |
Remote Similarity | 0.6302 | NPC106118 |
Remote Similarity | 0.6301 | NPC222029 |
Remote Similarity | 0.6278 | NPC328611 |
Remote Similarity | 0.6276 | NPC225400 |
Remote Similarity | 0.6268 | NPC291610 |
Remote Similarity | 0.6265 | NPC469537 |
Remote Similarity | 0.6264 | NPC147298 |
Remote Similarity | 0.6264 | NPC131450 |
Remote Similarity | 0.6264 | NPC182057 |
Remote Similarity | 0.6244 | NPC472538 |
Remote Similarity | 0.6244 | NPC471155 |
Remote Similarity | 0.6244 | NPC470786 |
Remote Similarity | 0.6242 | NPC252794 |
Remote Similarity | 0.6241 | NPC75496 |
Remote Similarity | 0.623 | NPC472540 |
Remote Similarity | 0.623 | NPC472539 |
Remote Similarity | 0.623 | NPC470787 |
Remote Similarity | 0.6222 | NPC242269 |
Remote Similarity | 0.6212 | NPC270241 |
Remote Similarity | 0.6199 | NPC154602 |
Remote Similarity | 0.6198 | NPC472542 |
Remote Similarity | 0.6198 | NPC472541 |
Remote Similarity | 0.619 | NPC276430 |
Remote Similarity | 0.6184 | NPC313449 |
Remote Similarity | 0.6173 | NPC316104 |
Remote Similarity | 0.6173 | NPC162417 |
Remote Similarity | 0.6167 | NPC292265 |
Remote Similarity | 0.6158 | NPC138293 |
Remote Similarity | 0.6158 | NPC113056 |
Remote Similarity | 0.6149 | NPC53044 |
Remote Similarity | 0.6127 | NPC295021 |
Remote Similarity | 0.6105 | NPC66936 |
Remote Similarity | 0.6098 | NPC471123 |
Remote Similarity | 0.6077 | NPC318183 |
Remote Similarity | 0.6049 | NPC476685 |
Remote Similarity | 0.6049 | NPC476689 |
Remote Similarity | 0.6049 | NPC476687 |
Remote Similarity | 0.6049 | NPC207428 |
Remote Similarity | 0.6048 | NPC471164 |
Remote Similarity | 0.6036 | NPC136002 |
Remote Similarity | 0.6034 | NPC471130 |
Remote Similarity | 0.6031 | NPC471199 |
Remote Similarity | 0.6026 | NPC257490 |
Remote Similarity | 0.6012 | NPC243756 |
Remote Similarity | 0.601 | NPC295548 |
Remote Similarity | 0.6 | NPC474430 |
Remote Similarity | 0.5988 | NPC207554 |
Remote Similarity | 0.5979 | NPC473615 |
Remote Similarity | 0.5978 | NPC189116 |
Remote Similarity | 0.5977 | NPC285381 |
Remote Similarity | 0.5972 | NPC326792 |
Remote Similarity | 0.5967 | NPC475248 |
Remote Similarity | 0.5967 | NPC63047 |
Remote Similarity | 0.5962 | NPC279385 |
Remote Similarity | 0.5962 | NPC179605 |
Remote Similarity | 0.5957 | NPC2933 |
Remote Similarity | 0.5957 | NPC21429 |
Remote Similarity | 0.5947 | NPC229484 |
Remote Similarity | 0.5946 | NPC20322 |
Remote Similarity | 0.5942 | NPC248601 |
Remote Similarity | 0.5932 | NPC104345 |
Remote Similarity | 0.5926 | NPC259626 |
Remote Similarity | 0.5926 | NPC133003 |
Remote Similarity | 0.5924 | NPC103292 |
Remote Similarity | 0.5924 | NPC470548 |
Remote Similarity | 0.5922 | NPC88970 |
Remote Similarity | 0.5916 | NPC292675 |
Remote Similarity | 0.5904 | NPC256288 |
Remote Similarity | 0.5901 | NPC469949 |
Remote Similarity | 0.5897 | NPC291962 |
Remote Similarity | 0.5897 | NPC177684 |
Remote Similarity | 0.5888 | NPC192674 |
Remote Similarity | 0.5886 | NPC268534 |
Remote Similarity | 0.5885 | NPC128582 |
Remote Similarity | 0.5882 | NPC286994 |
Remote Similarity | 0.5872 | NPC324445 |
Remote Similarity | 0.5868 | NPC287358 |
Remote Similarity | 0.5868 | NPC122553 |
Remote Similarity | 0.586 | NPC258531 |
Remote Similarity | 0.586 | NPC112373 |
Remote Similarity | 0.586 | NPC161956 |
Remote Similarity | 0.5858 | NPC471574 |
Remote Similarity | 0.5838 | NPC254798 |
Remote Similarity | 0.5833 | NPC220698 |
Remote Similarity | 0.5828 | NPC472245 |
Remote Similarity | 0.5824 | NPC238499 |
Remote Similarity | 0.5823 | NPC475915 |
Remote Similarity | 0.5819 | NPC120070 |
Remote Similarity | 0.5817 | NPC296163 |
Remote Similarity | 0.5817 | NPC314141 |
Remote Similarity | 0.5813 | NPC285192 |
Remote Similarity | 0.581 | NPC36495 |
Remote Similarity | 0.5806 | NPC125416 |
Remote Similarity | 0.5802 | NPC145754 |
Remote Similarity | 0.5802 | NPC476950 |
Remote Similarity | 0.5795 | NPC122106 |
Remote Similarity | 0.5787 | NPC469536 |
Remote Similarity | 0.5784 | NPC177261 |
Remote Similarity | 0.578 | NPC470440 |
Remote Similarity | 0.5778 | NPC472102 |
Remote Similarity | 0.5778 | NPC309531 |
Remote Similarity | 0.5772 | NPC473498 |
Remote Similarity | 0.5769 | NPC31651 |
Remote Similarity | 0.5769 | NPC192209 |
Remote Similarity | 0.5767 | NPC150863 |
Remote Similarity | 0.5763 | NPC471132 |
Remote Similarity | 0.5746 | NPC469741 |
Remote Similarity | 0.5743 | NPC275467 |
Remote Similarity | 0.5742 | NPC471197 |
Remote Similarity | 0.5742 | NPC288232 |
Remote Similarity | 0.5741 | NPC322433 |
Remote Similarity | 0.574 | NPC315224 |
Remote Similarity | 0.5738 | NPC279527 |
Remote Similarity | 0.5738 | NPC214960 |
Remote Similarity | 0.5737 | NPC470205 |
Remote Similarity | 0.5722 | NPC471122 |
Remote Similarity | 0.5722 | NPC471195 |
Remote Similarity | 0.5722 | NPC471196 |
Remote Similarity | 0.5714 | NPC192533 |
Remote Similarity | 0.5714 | NPC267508 |
Remote Similarity | 0.5714 | NPC187036 |
Remote Similarity | 0.5714 | NPC471198 |
Remote Similarity | 0.5707 | NPC470003 |
Remote Similarity | 0.5705 | NPC143516 |
Remote Similarity | 0.5699 | NPC285622 |
Remote Similarity | 0.5699 | NPC161861 |
Remote Similarity | 0.5698 | NPC315257 |
Remote Similarity | 0.5697 | NPC231382 |
Remote Similarity | 0.5696 | NPC226143 |
Remote Similarity | 0.5695 | NPC302790 |
Remote Similarity | 0.5691 | NPC14325 |
Remote Similarity | 0.5691 | NPC28848 |
Remote Similarity | 0.5687 | NPC39818 |
Remote Similarity | 0.5683 | NPC471124 |
Remote Similarity | 0.5674 | NPC281094 |
Remote Similarity | 0.5671 | NPC209389 |
Remote Similarity | 0.5667 | NPC123241 |
Remote Similarity | 0.5667 | NPC130898 |
Remote Similarity | 0.5667 | NPC61013 |
Remote Similarity | 0.5667 | NPC474973 |
Remote Similarity | 0.5667 | NPC474804 |
Remote Similarity | 0.5661 | NPC475094 |
Remote Similarity | 0.5659 | NPC293458 |
Remote Similarity | 0.5659 | NPC472117 |
Remote Similarity | 0.5654 | NPC476817 |
Remote Similarity | 0.5652 | NPC229477 |
Remote Similarity | 0.5644 | NPC250476 |
Remote Similarity | 0.5638 | NPC471743 |
Remote Similarity | 0.5637 | NPC471191 |
Remote Similarity | 0.5636 | NPC280807 |
Remote Similarity | 0.5636 | NPC314431 |
Remote Similarity | 0.5635 | NPC193410 |
Remote Similarity | 0.5632 | NPC91179 |
Remote Similarity | 0.5628 | NPC478184 |
Remote Similarity | 0.5625 | NPC153980 |
Remote Similarity | 0.5625 | NPC71684 |
Remote Similarity | 0.5625 | NPC6865 |
Remote Similarity | 0.5621 | NPC325599 |
Remote Similarity | 0.5619 | NPC177996 |
Remote Similarity | 0.5619 | NPC147983 |
Remote Similarity | 0.5612 | NPC129909 |
Remote Similarity | 0.5605 | NPC470544 |
Remote Similarity | 0.5604 | NPC248117 |
Remote Similarity | 0.56 | NPC264589 |
TTD   | DCL000403; DNCL002431 |
DrugBank   | DB08911 |
ChEMBL   | CHEMBL2103875 |
IUPHAR/BPS   | 6495 |
PharmaGKB   | |
KEGG Drug   | D10175 |
PubChem CID   | 11707110 |
ChEBI   | 75998 |
CAS Number   | 871700-17-3 |
Molecular Weight   | 615.08 |
ALogP   | 0.2465 |
MLogP   | 3.11 |
XLogP   | 4.967 |
HDA   | 9 |
HBD   | 2 |
Rotatable Bonds   | 11 |
TPSA   | 105.55 |
RO5 Violation   | 0 |