Drug ID:   | NPD2821 |
Drug Name:   | Tranilast |
Molecular Formula:   | C18H17NO5 |
Canonical SMILES:   | COc1cc(/C=C/C(=Nc2ccccc2C(=O)O)O)ccc1OC |
Standard InCHI:   | InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+ |
Standard InCHIKey:   | NZHGWWWHIYHZNX-CSKARUKUSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; 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 | 0.8343 | NPC9475 |
Intermediate Similarity | 0.8035 | NPC85613 |
Intermediate Similarity | 0.7963 | NPC153644 |
Intermediate Similarity | 0.7931 | NPC98416 |
Intermediate Similarity | 0.7931 | NPC283810 |
Intermediate Similarity | 0.7829 | NPC5167 |
Intermediate Similarity | 0.7759 | NPC8467 |
Intermediate Similarity | 0.7758 | NPC478189 |
Intermediate Similarity | 0.7725 | NPC16249 |
Intermediate Similarity | 0.7692 | NPC235628 |
Intermediate Similarity | 0.7673 | NPC471316 |
Intermediate Similarity | 0.7588 | NPC93653 |
Intermediate Similarity | 0.7456 | NPC58661 |
Intermediate Similarity | 0.7416 | NPC315631 |
Intermediate Similarity | 0.741 | NPC315829 |
Intermediate Similarity | 0.7381 | NPC182119 |
Intermediate Similarity | 0.7372 | NPC301713 |
Intermediate Similarity | 0.7358 | NPC214869 |
Intermediate Similarity | 0.7356 | NPC299582 |
Intermediate Similarity | 0.7344 | NPC268077 |
Intermediate Similarity | 0.7342 | NPC52029 |
Intermediate Similarity | 0.7342 | NPC35961 |
Intermediate Similarity | 0.7342 | NPC195749 |
Intermediate Similarity | 0.7325 | NPC276466 |
Intermediate Similarity | 0.7325 | NPC122235 |
Intermediate Similarity | 0.7325 | NPC123228 |
Intermediate Similarity | 0.7325 | NPC123722 |
Intermediate Similarity | 0.7325 | NPC5018 |
Intermediate Similarity | 0.7325 | NPC151167 |
Intermediate Similarity | 0.7296 | NPC114102 |
Intermediate Similarity | 0.7296 | NPC220241 |
Intermediate Similarity | 0.7296 | NPC66905 |
Intermediate Similarity | 0.7296 | NPC285776 |
Intermediate Similarity | 0.7296 | NPC295479 |
Intermediate Similarity | 0.729 | NPC226794 |
Intermediate Similarity | 0.7284 | NPC43218 |
Intermediate Similarity | 0.7278 | NPC155838 |
Intermediate Similarity | 0.7273 | NPC326065 |
Intermediate Similarity | 0.7261 | NPC84076 |
Intermediate Similarity | 0.7261 | NPC303680 |
Intermediate Similarity | 0.7261 | NPC90128 |
Intermediate Similarity | 0.7261 | NPC179777 |
Intermediate Similarity | 0.7256 | NPC284409 |
Intermediate Similarity | 0.7254 | NPC163829 |
Intermediate Similarity | 0.7246 | NPC473090 |
Intermediate Similarity | 0.7239 | NPC90431 |
Intermediate Similarity | 0.7233 | NPC304622 |
Intermediate Similarity | 0.7229 | NPC323798 |
Intermediate Similarity | 0.7219 | NPC144691 |
Intermediate Similarity | 0.7216 | NPC158551 |
Intermediate Similarity | 0.7216 | NPC127362 |
Intermediate Similarity | 0.7216 | NPC314861 |
Intermediate Similarity | 0.7215 | NPC186898 |
Intermediate Similarity | 0.7215 | NPC251571 |
Intermediate Similarity | 0.7209 | NPC10730 |
Intermediate Similarity | 0.7209 | NPC10875 |
Intermediate Similarity | 0.7205 | NPC111888 |
Intermediate Similarity | 0.7202 | NPC207971 |
Intermediate Similarity | 0.7202 | NPC132771 |
Intermediate Similarity | 0.7197 | NPC289459 |
Intermediate Similarity | 0.7194 | NPC85661 |
Intermediate Similarity | 0.7175 | NPC35345 |
Intermediate Similarity | 0.7169 | NPC908 |
Intermediate Similarity | 0.7169 | NPC138438 |
Intermediate Similarity | 0.7169 | NPC28398 |
Intermediate Similarity | 0.716 | NPC283823 |
Intermediate Similarity | 0.716 | NPC159418 |
Intermediate Similarity | 0.7152 | NPC213552 |
Intermediate Similarity | 0.7152 | NPC276014 |
Intermediate Similarity | 0.7152 | NPC120225 |
Intermediate Similarity | 0.7143 | NPC475983 |
Intermediate Similarity | 0.7143 | NPC46679 |
Intermediate Similarity | 0.7143 | NPC93882 |
Intermediate Similarity | 0.7143 | NPC130595 |
Intermediate Similarity | 0.7134 | NPC41473 |
Intermediate Similarity | 0.7134 | NPC14600 |
Intermediate Similarity | 0.7134 | NPC160607 |
Intermediate Similarity | 0.7134 | NPC204848 |
Intermediate Similarity | 0.7134 | NPC312770 |
Intermediate Similarity | 0.7134 | NPC246704 |
Intermediate Similarity | 0.7125 | NPC241354 |
Intermediate Similarity | 0.7124 | NPC205502 |
Intermediate Similarity | 0.712 | NPC71124 |
Intermediate Similarity | 0.7117 | NPC6913 |
Intermediate Similarity | 0.7113 | NPC473460 |
Intermediate Similarity | 0.7108 | NPC288452 |
Intermediate Similarity | 0.7108 | NPC289690 |
Intermediate Similarity | 0.7107 | NPC153990 |
Intermediate Similarity | 0.7107 | NPC171882 |
Intermediate Similarity | 0.7107 | NPC121510 |
Intermediate Similarity | 0.7104 | NPC270301 |
Intermediate Similarity | 0.7104 | NPC260118 |
Intermediate Similarity | 0.7099 | NPC313737 |
Intermediate Similarity | 0.7099 | NPC6854 |
Intermediate Similarity | 0.7099 | NPC285078 |
Intermediate Similarity | 0.7097 | NPC471877 |
Intermediate Similarity | 0.7091 | NPC299583 |
Intermediate Similarity | 0.709 | NPC254957 |
Intermediate Similarity | 0.7089 | NPC280767 |
Intermediate Similarity | 0.7089 | NPC257589 |
Intermediate Similarity | 0.7089 | NPC53305 |
Intermediate Similarity | 0.7081 | NPC255550 |
Intermediate Similarity | 0.7081 | NPC45191 |
Intermediate Similarity | 0.7081 | NPC308885 |
Intermediate Similarity | 0.7079 | NPC134702 |
Intermediate Similarity | 0.7079 | NPC182853 |
Intermediate Similarity | 0.7076 | NPC472969 |
Intermediate Similarity | 0.7076 | NPC469540 |
Intermediate Similarity | 0.7076 | NPC469539 |
Intermediate Similarity | 0.707 | NPC229084 |
Intermediate Similarity | 0.707 | NPC164778 |
Intermediate Similarity | 0.707 | NPC257976 |
Intermediate Similarity | 0.707 | NPC106659 |
Intermediate Similarity | 0.707 | NPC242372 |
Intermediate Similarity | 0.707 | NPC160900 |
Intermediate Similarity | 0.707 | NPC4181 |
Intermediate Similarity | 0.707 | NPC18984 |
Intermediate Similarity | 0.7065 | NPC192939 |
Intermediate Similarity | 0.7065 | NPC215747 |
Intermediate Similarity | 0.7063 | NPC478215 |
Intermediate Similarity | 0.7062 | NPC153631 |
Intermediate Similarity | 0.7059 | NPC280001 |
Intermediate Similarity | 0.7056 | NPC90185 |
Intermediate Similarity | 0.7055 | NPC473463 |
Intermediate Similarity | 0.7055 | NPC218530 |
Intermediate Similarity | 0.7055 | NPC475468 |
Intermediate Similarity | 0.7051 | NPC177291 |
Intermediate Similarity | 0.7051 | NPC194416 |
Intermediate Similarity | 0.7049 | NPC265383 |
Intermediate Similarity | 0.7044 | NPC154275 |
Intermediate Similarity | 0.7044 | NPC127937 |
Intermediate Similarity | 0.7044 | NPC92207 |
Intermediate Similarity | 0.7041 | NPC46880 |
Intermediate Similarity | 0.7037 | NPC470392 |
Intermediate Similarity | 0.7035 | NPC98809 |
Intermediate Similarity | 0.7035 | NPC55327 |
Intermediate Similarity | 0.7035 | NPC476394 |
Intermediate Similarity | 0.7035 | NPC111785 |
Intermediate Similarity | 0.7032 | NPC130931 |
Intermediate Similarity | 0.703 | NPC181527 |
Intermediate Similarity | 0.703 | NPC313327 |
Intermediate Similarity | 0.7025 | NPC312404 |
Intermediate Similarity | 0.7025 | NPC273686 |
Intermediate Similarity | 0.7025 | NPC205946 |
Intermediate Similarity | 0.702 | NPC477825 |
Intermediate Similarity | 0.7019 | NPC470706 |
Intermediate Similarity | 0.7019 | NPC83062 |
Intermediate Similarity | 0.7018 | NPC241392 |
Intermediate Similarity | 0.7018 | NPC161544 |
Intermediate Similarity | 0.7017 | NPC312872 |
Intermediate Similarity | 0.7015 | NPC148391 |
Intermediate Similarity | 0.7013 | NPC277460 |
Intermediate Similarity | 0.7012 | NPC300776 |
Intermediate Similarity | 0.7012 | NPC471110 |
Intermediate Similarity | 0.7012 | NPC176814 |
Intermediate Similarity | 0.7012 | NPC5310 |
Intermediate Similarity | 0.7012 | NPC68779 |
Intermediate Similarity | 0.7012 | NPC155098 |
Intermediate Similarity | 0.7012 | NPC4982 |
Intermediate Similarity | 0.7011 | NPC28368 |
Intermediate Similarity | 0.7011 | NPC207675 |
Intermediate Similarity | 0.7011 | NPC212699 |
Intermediate Similarity | 0.7006 | NPC114298 |
Intermediate Similarity | 0.7006 | NPC66518 |
Intermediate Similarity | 0.7 | NPC477827 |
Intermediate Similarity | 0.7 | NPC32163 |
Intermediate Similarity | 0.7 | NPC471604 |
Intermediate Similarity | 0.7 | NPC477826 |
Intermediate Similarity | 0.7 | NPC91234 |
Intermediate Similarity | 0.7 | NPC16651 |
Remote Similarity | 0.6995 | NPC5374 |
Remote Similarity | 0.6994 | NPC261322 |
Remote Similarity | 0.6994 | NPC473091 |
Remote Similarity | 0.699 | NPC38961 |
Remote Similarity | 0.6989 | NPC28425 |
Remote Similarity | 0.6988 | NPC296898 |
Remote Similarity | 0.6987 | NPC109083 |
Remote Similarity | 0.6987 | NPC224814 |
Remote Similarity | 0.6987 | NPC189844 |
Remote Similarity | 0.6987 | NPC158949 |
Remote Similarity | 0.6987 | NPC269843 |
Remote Similarity | 0.6987 | NPC60962 |
Remote Similarity | 0.6987 | NPC14007 |
Remote Similarity | 0.6984 | NPC28510 |
Remote Similarity | 0.6982 | NPC229218 |
Remote Similarity | 0.6982 | NPC176030 |
Remote Similarity | 0.6982 | NPC192597 |
Remote Similarity | 0.6982 | NPC169214 |
Remote Similarity | 0.6982 | NPC141817 |
Remote Similarity | 0.6979 | NPC470021 |
Remote Similarity | 0.6976 | NPC118189 |
Remote Similarity | 0.6975 | NPC172673 |
Remote Similarity | 0.6974 | NPC294941 |
Remote Similarity | 0.6973 | NPC311936 |
Remote Similarity | 0.697 | NPC126637 |
Remote Similarity | 0.697 | NPC204592 |
Remote Similarity | 0.697 | NPC207873 |
Remote Similarity | 0.697 | NPC100573 |
Remote Similarity | 0.697 | NPC113295 |
Remote Similarity | 0.6965 | NPC114468 |
Molecular Weight   | 327.11 |
ALogP   | -0.0639 |
MLogP   | 2.78 |
XLogP   | 3.907 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 10 |
TPSA   | 88.35 |
RO5 Violation   | 0 |