Drug ID:   | NPD6956 |
Drug Name:   | Amg-900 |
Molecular Formula:   | C28H21N7OS |
Canonical SMILES:   | Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1cc[nH]c(=N)n1 |
Standard InCHI:   | InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33) |
Standard InCHIKey:   | IVUGFMLRJOCGAS-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 |
---|---|---|
Intermediate Similarity | 0.7296 | NPC476465 |
Intermediate Similarity | 0.7033 | NPC153467 |
Intermediate Similarity | 0.7 | NPC180504 |
Remote Similarity | 0.6949 | NPC285558 |
Remote Similarity | 0.6917 | NPC208284 |
Remote Similarity | 0.6875 | NPC39092 |
Remote Similarity | 0.6838 | NPC24802 |
Remote Similarity | 0.6805 | NPC123976 |
Remote Similarity | 0.6805 | NPC167860 |
Remote Similarity | 0.6753 | NPC76748 |
Remote Similarity | 0.6736 | NPC290689 |
Remote Similarity | 0.6724 | NPC92111 |
Remote Similarity | 0.671 | NPC296527 |
Remote Similarity | 0.6709 | NPC176538 |
Remote Similarity | 0.668 | NPC130570 |
Remote Similarity | 0.6667 | NPC287437 |
Remote Similarity | 0.6667 | NPC307963 |
Remote Similarity | 0.6653 | NPC213530 |
Remote Similarity | 0.6653 | NPC193267 |
Remote Similarity | 0.664 | NPC314954 |
Remote Similarity | 0.664 | NPC315822 |
Remote Similarity | 0.6623 | NPC222592 |
Remote Similarity | 0.6623 | NPC168486 |
Remote Similarity | 0.6615 | NPC295228 |
Remote Similarity | 0.6609 | NPC134079 |
Remote Similarity | 0.6597 | NPC476578 |
Remote Similarity | 0.6597 | NPC476582 |
Remote Similarity | 0.6597 | NPC4071 |
Remote Similarity | 0.6543 | NPC313189 |
Remote Similarity | 0.6529 | NPC476581 |
Remote Similarity | 0.6529 | NPC36229 |
Remote Similarity | 0.6529 | NPC16452 |
Remote Similarity | 0.6524 | NPC206251 |
Remote Similarity | 0.6524 | NPC74382 |
Remote Similarity | 0.6506 | NPC476041 |
Remote Similarity | 0.6506 | NPC304926 |
Remote Similarity | 0.6502 | NPC470164 |
Remote Similarity | 0.6502 | NPC323345 |
Remote Similarity | 0.65 | NPC19872 |
Remote Similarity | 0.6498 | NPC101543 |
Remote Similarity | 0.6498 | NPC469554 |
Remote Similarity | 0.6496 | NPC224327 |
Remote Similarity | 0.6492 | NPC470549 |
Remote Similarity | 0.6483 | NPC195268 |
Remote Similarity | 0.6483 | NPC133140 |
Remote Similarity | 0.6478 | NPC471603 |
Remote Similarity | 0.6478 | NPC296482 |
Remote Similarity | 0.6478 | NPC53069 |
Remote Similarity | 0.6478 | NPC202768 |
Remote Similarity | 0.6473 | NPC232727 |
Remote Similarity | 0.6471 | NPC251090 |
Remote Similarity | 0.6466 | NPC170114 |
Remote Similarity | 0.6452 | NPC266931 |
Remote Similarity | 0.6449 | NPC82548 |
Remote Similarity | 0.6432 | NPC329793 |
Remote Similarity | 0.6432 | NPC315957 |
Remote Similarity | 0.6431 | NPC132631 |
Remote Similarity | 0.6431 | NPC103687 |
Remote Similarity | 0.6422 | NPC176127 |
Remote Similarity | 0.6408 | NPC135549 |
Remote Similarity | 0.6405 | NPC31930 |
Remote Similarity | 0.6402 | NPC13880 |
Remote Similarity | 0.6402 | NPC242209 |
Remote Similarity | 0.6393 | NPC118832 |
Remote Similarity | 0.6393 | NPC165349 |
Remote Similarity | 0.6393 | NPC475070 |
Remote Similarity | 0.6393 | NPC274291 |
Remote Similarity | 0.6393 | NPC264166 |
Remote Similarity | 0.6393 | NPC329708 |
Remote Similarity | 0.6393 | NPC47059 |
Remote Similarity | 0.6381 | NPC56271 |
Remote Similarity | 0.6378 | NPC280272 |
Remote Similarity | 0.6364 | NPC121772 |
Remote Similarity | 0.6364 | NPC234197 |
Remote Similarity | 0.6364 | NPC477019 |
Remote Similarity | 0.6352 | NPC476138 |
Remote Similarity | 0.6352 | NPC245816 |
Remote Similarity | 0.6345 | NPC202605 |
Remote Similarity | 0.6345 | NPC171409 |
Remote Similarity | 0.6345 | NPC112206 |
Remote Similarity | 0.6345 | NPC96405 |
Remote Similarity | 0.6345 | NPC324149 |
Remote Similarity | 0.6345 | NPC99666 |
Remote Similarity | 0.6321 | NPC478011 |
Remote Similarity | 0.6321 | NPC478012 |
Remote Similarity | 0.632 | NPC476287 |
Remote Similarity | 0.6307 | NPC267928 |
Remote Similarity | 0.6299 | NPC314176 |
Remote Similarity | 0.629 | NPC174672 |
Remote Similarity | 0.629 | NPC201697 |
Remote Similarity | 0.629 | NPC476116 |
Remote Similarity | 0.6286 | NPC475774 |
Remote Similarity | 0.6286 | NPC223427 |
Remote Similarity | 0.6279 | NPC157931 |
Remote Similarity | 0.6271 | NPC171171 |
Remote Similarity | 0.627 | NPC469308 |
Remote Similarity | 0.6255 | NPC204717 |
Remote Similarity | 0.625 | NPC477111 |
Remote Similarity | 0.625 | NPC287208 |
Remote Similarity | 0.6235 | NPC477113 |
Remote Similarity | 0.6235 | NPC472099 |
Remote Similarity | 0.6235 | NPC472111 |
Remote Similarity | 0.6229 | NPC314002 |
Remote Similarity | 0.6225 | NPC174758 |
Remote Similarity | 0.6221 | NPC141053 |
Remote Similarity | 0.622 | NPC162484 |
Remote Similarity | 0.6217 | NPC316756 |
Remote Similarity | 0.6215 | NPC251160 |
Remote Similarity | 0.6215 | NPC26679 |
Remote Similarity | 0.6213 | NPC220765 |
Remote Similarity | 0.6211 | NPC310118 |
Remote Similarity | 0.6207 | NPC201508 |
Remote Similarity | 0.6202 | NPC245348 |
Remote Similarity | 0.62 | NPC188420 |
Remote Similarity | 0.62 | NPC5145 |
Remote Similarity | 0.6198 | NPC70259 |
Remote Similarity | 0.6192 | NPC471593 |
Remote Similarity | 0.619 | NPC162530 |
Remote Similarity | 0.619 | NPC271215 |
Remote Similarity | 0.619 | NPC149471 |
Remote Similarity | 0.6189 | NPC30540 |
Remote Similarity | 0.6187 | NPC314056 |
Remote Similarity | 0.6186 | NPC84478 |
Remote Similarity | 0.6183 | NPC329541 |
Remote Similarity | 0.6181 | NPC469727 |
Remote Similarity | 0.6178 | NPC26850 |
Remote Similarity | 0.6178 | NPC60006 |
Remote Similarity | 0.6173 | NPC77555 |
Remote Similarity | 0.6172 | NPC477533 |
Remote Similarity | 0.6167 | NPC177404 |
Remote Similarity | 0.6163 | NPC329747 |
Remote Similarity | 0.6162 | NPC26543 |
Remote Similarity | 0.616 | NPC185782 |
Remote Similarity | 0.616 | NPC255800 |
Remote Similarity | 0.616 | NPC96584 |
Remote Similarity | 0.6157 | NPC205934 |
Remote Similarity | 0.6157 | NPC43787 |
Remote Similarity | 0.6151 | NPC94157 |
Remote Similarity | 0.6151 | NPC48353 |
Remote Similarity | 0.6151 | NPC316981 |
Remote Similarity | 0.6148 | NPC72211 |
Remote Similarity | 0.6139 | NPC125597 |
Remote Similarity | 0.6138 | NPC267423 |
Remote Similarity | 0.6135 | NPC11464 |
Remote Similarity | 0.6135 | NPC471304 |
Remote Similarity | 0.6135 | NPC470020 |
Remote Similarity | 0.6132 | NPC194967 |
Remote Similarity | 0.613 | NPC252251 |
Remote Similarity | 0.6128 | NPC101350 |
Remote Similarity | 0.6124 | NPC216612 |
Remote Similarity | 0.6123 | NPC150447 |
Remote Similarity | 0.6121 | NPC478013 |
Remote Similarity | 0.6115 | NPC214980 |
Remote Similarity | 0.6107 | NPC209174 |
Remote Similarity | 0.6104 | NPC476518 |
Remote Similarity | 0.6102 | NPC235076 |
Remote Similarity | 0.61 | NPC322482 |
Remote Similarity | 0.6098 | NPC11017 |
Remote Similarity | 0.6098 | NPC470889 |
Remote Similarity | 0.6094 | NPC477609 |
Remote Similarity | 0.6094 | NPC23614 |
Remote Similarity | 0.6094 | NPC100079 |
Remote Similarity | 0.6092 | NPC187145 |
Remote Similarity | 0.6092 | NPC110151 |
Remote Similarity | 0.6092 | NPC257851 |
Remote Similarity | 0.609 | NPC235685 |
Remote Similarity | 0.6089 | NPC469440 |
Remote Similarity | 0.6085 | NPC478010 |
Remote Similarity | 0.6085 | NPC478009 |
Remote Similarity | 0.6085 | NPC60621 |
Remote Similarity | 0.6085 | NPC473317 |
Remote Similarity | 0.6084 | NPC475253 |
Remote Similarity | 0.6084 | NPC477531 |
Remote Similarity | 0.6083 | NPC472289 |
Remote Similarity | 0.6078 | NPC14651 |
Remote Similarity | 0.6078 | NPC121658 |
Remote Similarity | 0.6078 | NPC274982 |
Remote Similarity | 0.6069 | NPC471762 |
Remote Similarity | 0.6069 | NPC66777 |
Remote Similarity | 0.6067 | NPC11408 |
Remote Similarity | 0.6063 | NPC477610 |
Remote Similarity | 0.6061 | NPC196718 |
Remote Similarity | 0.6061 | NPC49547 |
Remote Similarity | 0.6059 | NPC171393 |
Remote Similarity | 0.6059 | NPC478081 |
Remote Similarity | 0.6059 | NPC295452 |
Remote Similarity | 0.6059 | NPC164228 |
Remote Similarity | 0.6056 | NPC475910 |
Remote Similarity | 0.6054 | NPC2497 |
Remote Similarity | 0.6052 | NPC111624 |
Remote Similarity | 0.6051 | NPC53534 |
Remote Similarity | 0.6048 | NPC475085 |
Remote Similarity | 0.6048 | NPC291535 |
Remote Similarity | 0.6048 | NPC475112 |
Remote Similarity | 0.6047 | NPC174049 |
Remote Similarity | 0.6047 | NPC77022 |
Remote Similarity | 0.6047 | NPC124636 |
Remote Similarity | 0.6044 | NPC26872 |
Remote Similarity | 0.6043 | NPC248454 |
Remote Similarity | 0.6043 | NPC184964 |
TTD   | DNCL002367 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 24856041 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 503.15 |
ALogP   | -0.2118 |
MLogP   | 3.55 |
XLogP   | 7.089 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 7 |
TPSA   | 136.41 |
RO5 Violation   | 1 |