Drug ID:   | NPD3222 |
Drug Name:   | Silmitasertib |
Molecular Formula:   | C19H12ClN3O2 |
Canonical SMILES:   | Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O |
Standard InCHI:   | InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) |
Standard InCHIKey:   | MUOKSQABCJCOPU-UHFFFAOYSA-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 |
---|---|---|
Intermediate Similarity | 0.8145 | NPC116622 |
Intermediate Similarity | 0.7512 | NPC474916 |
Intermediate Similarity | 0.7477 | NPC243850 |
Intermediate Similarity | 0.7416 | NPC278434 |
Intermediate Similarity | 0.7217 | NPC229893 |
Intermediate Similarity | 0.7188 | NPC82370 |
Intermediate Similarity | 0.7181 | NPC469727 |
Intermediate Similarity | 0.7136 | NPC57398 |
Intermediate Similarity | 0.7136 | NPC328318 |
Intermediate Similarity | 0.7136 | NPC328596 |
Intermediate Similarity | 0.7124 | NPC192712 |
Intermediate Similarity | 0.711 | NPC131887 |
Intermediate Similarity | 0.7103 | NPC83111 |
Intermediate Similarity | 0.7093 | NPC237740 |
Intermediate Similarity | 0.707 | NPC138370 |
Intermediate Similarity | 0.7062 | NPC243058 |
Intermediate Similarity | 0.7048 | NPC317752 |
Intermediate Similarity | 0.704 | NPC317373 |
Intermediate Similarity | 0.7034 | NPC315062 |
Intermediate Similarity | 0.7034 | NPC267853 |
Intermediate Similarity | 0.7033 | NPC219848 |
Intermediate Similarity | 0.7032 | NPC67288 |
Intermediate Similarity | 0.7031 | NPC27041 |
Intermediate Similarity | 0.7029 | NPC104712 |
Intermediate Similarity | 0.7028 | NPC74619 |
Intermediate Similarity | 0.7024 | NPC41717 |
Intermediate Similarity | 0.7004 | NPC244897 |
Intermediate Similarity | 0.7004 | NPC318299 |
Intermediate Similarity | 0.7 | NPC256268 |
Remote Similarity | 0.6996 | NPC130570 |
Remote Similarity | 0.6996 | NPC327592 |
Remote Similarity | 0.6991 | NPC309845 |
Remote Similarity | 0.6987 | NPC177996 |
Remote Similarity | 0.6987 | NPC147983 |
Remote Similarity | 0.6986 | NPC90229 |
Remote Similarity | 0.6974 | NPC282247 |
Remote Similarity | 0.6963 | NPC62749 |
Remote Similarity | 0.6963 | NPC90415 |
Remote Similarity | 0.696 | NPC72956 |
Remote Similarity | 0.6952 | NPC157583 |
Remote Similarity | 0.6952 | NPC111275 |
Remote Similarity | 0.6948 | NPC207851 |
Remote Similarity | 0.6948 | NPC203635 |
Remote Similarity | 0.6946 | NPC316411 |
Remote Similarity | 0.694 | NPC276657 |
Remote Similarity | 0.6937 | NPC471944 |
Remote Similarity | 0.6933 | NPC193238 |
Remote Similarity | 0.693 | NPC6865 |
Remote Similarity | 0.693 | NPC153980 |
Remote Similarity | 0.693 | NPC471193 |
Remote Similarity | 0.693 | NPC471194 |
Remote Similarity | 0.692 | NPC472844 |
Remote Similarity | 0.6916 | NPC282103 |
Remote Similarity | 0.6914 | NPC295452 |
Remote Similarity | 0.6914 | NPC171393 |
Remote Similarity | 0.6913 | NPC62995 |
Remote Similarity | 0.6912 | NPC322644 |
Remote Similarity | 0.6909 | NPC227582 |
Remote Similarity | 0.6903 | NPC266249 |
Remote Similarity | 0.6898 | NPC321708 |
Remote Similarity | 0.6891 | NPC477112 |
Remote Similarity | 0.6881 | NPC216550 |
Remote Similarity | 0.6872 | NPC237188 |
Remote Similarity | 0.6869 | NPC285923 |
Remote Similarity | 0.6862 | NPC207686 |
Remote Similarity | 0.6857 | NPC303225 |
Remote Similarity | 0.6856 | NPC118940 |
Remote Similarity | 0.6853 | NPC63109 |
Remote Similarity | 0.6842 | NPC123839 |
Remote Similarity | 0.684 | NPC213468 |
Remote Similarity | 0.684 | NPC471192 |
Remote Similarity | 0.6833 | NPC141454 |
Remote Similarity | 0.683 | NPC476073 |
Remote Similarity | 0.6827 | NPC78020 |
Remote Similarity | 0.6825 | NPC150048 |
Remote Similarity | 0.6825 | NPC203754 |
Remote Similarity | 0.6816 | NPC213308 |
Remote Similarity | 0.6816 | NPC252338 |
Remote Similarity | 0.6791 | NPC467063 |
Remote Similarity | 0.6789 | NPC154339 |
Remote Similarity | 0.6781 | NPC264285 |
Remote Similarity | 0.6777 | NPC110500 |
Remote Similarity | 0.6777 | NPC203468 |
Remote Similarity | 0.6777 | NPC149155 |
Remote Similarity | 0.6774 | NPC254762 |
Remote Similarity | 0.6773 | NPC45850 |
Remote Similarity | 0.6767 | NPC36405 |
Remote Similarity | 0.6761 | NPC55772 |
Remote Similarity | 0.6754 | NPC116555 |
Remote Similarity | 0.6751 | NPC476818 |
Remote Similarity | 0.6748 | NPC131718 |
Remote Similarity | 0.6745 | NPC84347 |
Remote Similarity | 0.6745 | NPC267885 |
Remote Similarity | 0.6741 | NPC315491 |
Remote Similarity | 0.6741 | NPC45459 |
Remote Similarity | 0.6737 | NPC216612 |
Remote Similarity | 0.673 | NPC313791 |
Remote Similarity | 0.6721 | NPC208522 |
Remote Similarity | 0.671 | NPC471603 |
Remote Similarity | 0.6708 | NPC477549 |
Remote Similarity | 0.6698 | NPC139763 |
Remote Similarity | 0.6697 | NPC267343 |
Remote Similarity | 0.6696 | NPC470020 |
Remote Similarity | 0.6696 | NPC314648 |
Remote Similarity | 0.6695 | NPC473317 |
Remote Similarity | 0.6695 | NPC476491 |
Remote Similarity | 0.6694 | NPC178858 |
Remote Similarity | 0.6693 | NPC471536 |
Remote Similarity | 0.6682 | NPC248041 |
Remote Similarity | 0.6682 | NPC283219 |
Remote Similarity | 0.6682 | NPC126709 |
Remote Similarity | 0.6681 | NPC171787 |
Remote Similarity | 0.6681 | NPC48317 |
Remote Similarity | 0.6681 | NPC74360 |
Remote Similarity | 0.6681 | NPC31700 |
Remote Similarity | 0.6667 | NPC472285 |
Remote Similarity | 0.6667 | NPC48938 |
Remote Similarity | 0.6667 | NPC267811 |
Remote Similarity | 0.6667 | NPC103119 |
Remote Similarity | 0.6667 | NPC202812 |
Remote Similarity | 0.6667 | NPC220851 |
Remote Similarity | 0.6667 | NPC255909 |
Remote Similarity | 0.6667 | NPC472064 |
Remote Similarity | 0.6667 | NPC82053 |
Remote Similarity | 0.6667 | NPC16352 |
Remote Similarity | 0.6653 | NPC470018 |
Remote Similarity | 0.6653 | NPC279189 |
Remote Similarity | 0.6653 | NPC103687 |
Remote Similarity | 0.6653 | NPC200553 |
Remote Similarity | 0.6653 | NPC132631 |
Remote Similarity | 0.6652 | NPC165599 |
Remote Similarity | 0.6652 | NPC98715 |
Remote Similarity | 0.6652 | NPC324149 |
Remote Similarity | 0.6651 | NPC194040 |
Remote Similarity | 0.6651 | NPC17273 |
Remote Similarity | 0.6651 | NPC135601 |
Remote Similarity | 0.6651 | NPC315555 |
Remote Similarity | 0.6651 | NPC141612 |
Remote Similarity | 0.6639 | NPC322482 |
Remote Similarity | 0.6638 | NPC244741 |
Remote Similarity | 0.6638 | NPC219087 |
Remote Similarity | 0.6637 | NPC128244 |
Remote Similarity | 0.6637 | NPC11445 |
Remote Similarity | 0.6636 | NPC21429 |
Remote Similarity | 0.6625 | NPC74575 |
Remote Similarity | 0.6622 | NPC326422 |
Remote Similarity | 0.6622 | NPC74413 |
Remote Similarity | 0.6613 | NPC142385 |
Remote Similarity | 0.6612 | NPC15801 |
Remote Similarity | 0.6611 | NPC125597 |
Remote Similarity | 0.6609 | NPC258062 |
Remote Similarity | 0.6609 | NPC127677 |
Remote Similarity | 0.6607 | NPC167710 |
Remote Similarity | 0.6607 | NPC156704 |
Remote Similarity | 0.6603 | NPC102423 |
Remote Similarity | 0.6598 | NPC182222 |
Remote Similarity | 0.6598 | NPC174489 |
Remote Similarity | 0.6598 | NPC156003 |
Remote Similarity | 0.6594 | NPC472065 |
Remote Similarity | 0.6594 | NPC471191 |
Remote Similarity | 0.6592 | NPC157828 |
Remote Similarity | 0.6592 | NPC195239 |
Remote Similarity | 0.6591 | NPC183805 |
Remote Similarity | 0.6591 | NPC472289 |
Remote Similarity | 0.6589 | NPC471743 |
Remote Similarity | 0.6584 | NPC49547 |
Remote Similarity | 0.6582 | NPC272174 |
Remote Similarity | 0.658 | NPC472070 |
Remote Similarity | 0.6578 | NPC34837 |
Remote Similarity | 0.6577 | NPC272458 |
Remote Similarity | 0.6575 | NPC160381 |
Remote Similarity | 0.6575 | NPC235684 |
Remote Similarity | 0.6574 | NPC471997 |
Remote Similarity | 0.6571 | NPC162002 |
Remote Similarity | 0.6565 | NPC314297 |
Remote Similarity | 0.6565 | NPC183777 |
Remote Similarity | 0.6565 | NPC315545 |
Remote Similarity | 0.6565 | NPC46225 |
Remote Similarity | 0.6565 | NPC225821 |
Remote Similarity | 0.6562 | NPC245916 |
Remote Similarity | 0.6558 | NPC284775 |
Remote Similarity | 0.6555 | NPC474896 |
Remote Similarity | 0.6555 | NPC60621 |
Remote Similarity | 0.655 | NPC473376 |
Remote Similarity | 0.6549 | NPC81535 |
Remote Similarity | 0.6545 | NPC26641 |
Remote Similarity | 0.6544 | NPC71037 |
Remote Similarity | 0.6544 | NPC477891 |
Remote Similarity | 0.6544 | NPC470677 |
Remote Similarity | 0.6537 | NPC477111 |
Remote Similarity | 0.6535 | NPC260900 |
Remote Similarity | 0.6532 | NPC476460 |
Remote Similarity | 0.6531 | NPC327769 |
Remote Similarity | 0.6528 | NPC164340 |
Remote Similarity | 0.6527 | NPC31097 |
Remote Similarity | 0.6522 | NPC313345 |
Remote Similarity | 0.6522 | NPC315638 |
Remote Similarity | 0.6522 | NPC313796 |
Remote Similarity | 0.6522 | NPC175602 |
Remote Similarity | 0.6522 | NPC314855 |
TTD   | DNCL002399 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 24748573 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 349.06 |
ALogP   | 0.0841 |
MLogP   | 2.89 |
XLogP   | 3.978 |
HDA   | 5 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 75.11 |
RO5 Violation   | 0 |