Drug ID:   | NPD6158 |
Drug Name:   | Azd-7624 |
Molecular Formula:   | C25H22N2O |
Canonical SMILES:   | CC[C@@H](c1ccccc1)N=C(c1cc(nc2c1cccc2)c1ccccc1)O |
Standard InCHI:   | InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1 |
Standard InCHIKey:   | MXNGYQJJYRVGGJ-QFIPXVFZSA-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 | 0.8395 | NPC150048 |
Intermediate Similarity | 0.8395 | NPC203754 |
Intermediate Similarity | 0.8301 | NPC288445 |
Intermediate Similarity | 0.8146 | NPC60553 |
Intermediate Similarity | 0.8098 | NPC158129 |
Intermediate Similarity | 0.8038 | NPC141353 |
Intermediate Similarity | 0.7975 | NPC44161 |
Intermediate Similarity | 0.7888 | NPC131718 |
Intermediate Similarity | 0.7882 | NPC472294 |
Intermediate Similarity | 0.7877 | NPC278451 |
Intermediate Similarity | 0.7875 | NPC26850 |
Intermediate Similarity | 0.7872 | NPC54102 |
Intermediate Similarity | 0.7872 | NPC162689 |
Intermediate Similarity | 0.7866 | NPC317430 |
Intermediate Similarity | 0.7844 | NPC56618 |
Intermediate Similarity | 0.7844 | NPC134586 |
Intermediate Similarity | 0.7834 | NPC37548 |
Intermediate Similarity | 0.7831 | NPC34508 |
Intermediate Similarity | 0.7812 | NPC285469 |
Intermediate Similarity | 0.7801 | NPC81561 |
Intermediate Similarity | 0.7798 | NPC326575 |
Intermediate Similarity | 0.7798 | NPC211997 |
Intermediate Similarity | 0.7793 | NPC122718 |
Intermediate Similarity | 0.7791 | NPC159319 |
Intermediate Similarity | 0.7778 | NPC255229 |
Intermediate Similarity | 0.7778 | NPC81229 |
Intermediate Similarity | 0.7763 | NPC251722 |
Intermediate Similarity | 0.7763 | NPC314102 |
Intermediate Similarity | 0.7733 | NPC476319 |
Intermediate Similarity | 0.773 | NPC47298 |
Intermediate Similarity | 0.773 | NPC315214 |
Intermediate Similarity | 0.773 | NPC148140 |
Intermediate Similarity | 0.7725 | NPC472123 |
Intermediate Similarity | 0.7725 | NPC471294 |
Intermediate Similarity | 0.7722 | NPC187951 |
Intermediate Similarity | 0.7692 | NPC293472 |
Intermediate Similarity | 0.7688 | NPC26872 |
Intermediate Similarity | 0.7683 | NPC476118 |
Intermediate Similarity | 0.7683 | NPC32028 |
Intermediate Similarity | 0.7683 | NPC102423 |
Intermediate Similarity | 0.7654 | NPC129721 |
Intermediate Similarity | 0.7651 | NPC63751 |
Intermediate Similarity | 0.7647 | NPC133261 |
Intermediate Similarity | 0.7647 | NPC232340 |
Intermediate Similarity | 0.7647 | NPC270009 |
Intermediate Similarity | 0.7647 | NPC472443 |
Intermediate Similarity | 0.764 | NPC207726 |
Intermediate Similarity | 0.764 | NPC38736 |
Intermediate Similarity | 0.764 | NPC470507 |
Intermediate Similarity | 0.7633 | NPC472122 |
Intermediate Similarity | 0.7633 | NPC24594 |
Intermediate Similarity | 0.7622 | NPC16667 |
Intermediate Similarity | 0.7619 | NPC313791 |
Intermediate Similarity | 0.7619 | NPC259545 |
Intermediate Similarity | 0.7616 | NPC48938 |
Intermediate Similarity | 0.7616 | NPC243058 |
Intermediate Similarity | 0.7616 | NPC19679 |
Intermediate Similarity | 0.7596 | NPC475070 |
Intermediate Similarity | 0.759 | NPC98187 |
Intermediate Similarity | 0.7584 | NPC195314 |
Intermediate Similarity | 0.758 | NPC242556 |
Intermediate Similarity | 0.7578 | NPC259644 |
Intermediate Similarity | 0.7578 | NPC25008 |
Intermediate Similarity | 0.7578 | NPC469763 |
Intermediate Similarity | 0.7578 | NPC469760 |
Intermediate Similarity | 0.7578 | NPC469786 |
Intermediate Similarity | 0.7578 | NPC73952 |
Intermediate Similarity | 0.7578 | NPC469765 |
Intermediate Similarity | 0.7574 | NPC329688 |
Intermediate Similarity | 0.7574 | NPC189812 |
Intermediate Similarity | 0.7574 | NPC312872 |
Intermediate Similarity | 0.7571 | NPC324149 |
Intermediate Similarity | 0.7569 | NPC249040 |
Intermediate Similarity | 0.7561 | NPC322644 |
Intermediate Similarity | 0.7558 | NPC192270 |
Intermediate Similarity | 0.7558 | NPC314394 |
Intermediate Similarity | 0.7548 | NPC104483 |
Intermediate Similarity | 0.7545 | NPC154293 |
Intermediate Similarity | 0.7544 | NPC72980 |
Intermediate Similarity | 0.7544 | NPC88363 |
Intermediate Similarity | 0.7531 | NPC211572 |
Intermediate Similarity | 0.7531 | NPC75540 |
Intermediate Similarity | 0.7531 | NPC80597 |
Intermediate Similarity | 0.7531 | NPC212376 |
Intermediate Similarity | 0.7531 | NPC70922 |
Intermediate Similarity | 0.7529 | NPC473189 |
Intermediate Similarity | 0.7517 | NPC215519 |
Intermediate Similarity | 0.7516 | NPC20144 |
Intermediate Similarity | 0.7515 | NPC471177 |
Intermediate Similarity | 0.7515 | NPC59779 |
Intermediate Similarity | 0.7515 | NPC474409 |
Intermediate Similarity | 0.7515 | NPC124542 |
Intermediate Similarity | 0.7515 | NPC177404 |
Intermediate Similarity | 0.7515 | NPC208060 |
Intermediate Similarity | 0.7514 | NPC472444 |
Intermediate Similarity | 0.7514 | NPC133306 |
Intermediate Similarity | 0.75 | NPC126481 |
Intermediate Similarity | 0.75 | NPC92796 |
Intermediate Similarity | 0.75 | NPC472105 |
Intermediate Similarity | 0.75 | NPC473764 |
Intermediate Similarity | 0.75 | NPC314940 |
Intermediate Similarity | 0.75 | NPC478032 |
Intermediate Similarity | 0.75 | NPC135141 |
Intermediate Similarity | 0.75 | NPC187827 |
Intermediate Similarity | 0.75 | NPC67056 |
Intermediate Similarity | 0.7486 | NPC90415 |
Intermediate Similarity | 0.7485 | NPC59269 |
Intermediate Similarity | 0.7485 | NPC49954 |
Intermediate Similarity | 0.7485 | NPC283152 |
Intermediate Similarity | 0.7485 | NPC474561 |
Intermediate Similarity | 0.7472 | NPC99666 |
Intermediate Similarity | 0.7471 | NPC203635 |
Intermediate Similarity | 0.7471 | NPC190007 |
Intermediate Similarity | 0.747 | NPC97367 |
Intermediate Similarity | 0.7459 | NPC102008 |
Intermediate Similarity | 0.7457 | NPC477891 |
Intermediate Similarity | 0.7453 | NPC24678 |
Intermediate Similarity | 0.7453 | NPC105818 |
Intermediate Similarity | 0.7443 | NPC473177 |
Intermediate Similarity | 0.7434 | NPC256893 |
Intermediate Similarity | 0.7433 | NPC476116 |
Intermediate Similarity | 0.743 | NPC473178 |
Intermediate Similarity | 0.7429 | NPC94943 |
Intermediate Similarity | 0.7429 | NPC15102 |
Intermediate Similarity | 0.7427 | NPC288943 |
Intermediate Similarity | 0.7427 | NPC84347 |
Intermediate Similarity | 0.7427 | NPC288785 |
Intermediate Similarity | 0.7418 | NPC32200 |
Intermediate Similarity | 0.7414 | NPC472108 |
Intermediate Similarity | 0.7414 | NPC139291 |
Intermediate Similarity | 0.7414 | NPC472109 |
Intermediate Similarity | 0.7414 | NPC472110 |
Intermediate Similarity | 0.741 | NPC282231 |
Intermediate Similarity | 0.7405 | NPC329708 |
Intermediate Similarity | 0.7405 | NPC118832 |
Intermediate Similarity | 0.7405 | NPC47059 |
Intermediate Similarity | 0.7405 | NPC165349 |
Intermediate Similarity | 0.7405 | NPC264166 |
Intermediate Similarity | 0.7405 | NPC274291 |
Intermediate Similarity | 0.7403 | NPC474188 |
Intermediate Similarity | 0.7401 | NPC128751 |
Intermediate Similarity | 0.7401 | NPC246700 |
Intermediate Similarity | 0.7399 | NPC15840 |
Intermediate Similarity | 0.7396 | NPC280548 |
Intermediate Similarity | 0.7394 | NPC84508 |
Intermediate Similarity | 0.7391 | NPC124005 |
Intermediate Similarity | 0.7386 | NPC184437 |
Intermediate Similarity | 0.7386 | NPC171171 |
Intermediate Similarity | 0.7386 | NPC473930 |
Intermediate Similarity | 0.7384 | NPC219848 |
Intermediate Similarity | 0.7381 | NPC160105 |
Intermediate Similarity | 0.738 | NPC477111 |
Intermediate Similarity | 0.7378 | NPC469785 |
Intermediate Similarity | 0.7371 | NPC204717 |
Intermediate Similarity | 0.7368 | NPC472586 |
Intermediate Similarity | 0.7368 | NPC303225 |
Intermediate Similarity | 0.7365 | NPC311276 |
Intermediate Similarity | 0.7365 | NPC194640 |
Intermediate Similarity | 0.7363 | NPC474916 |
Intermediate Similarity | 0.736 | NPC469497 |
Intermediate Similarity | 0.736 | NPC95783 |
Intermediate Similarity | 0.736 | NPC106833 |
Intermediate Similarity | 0.7355 | NPC325252 |
Intermediate Similarity | 0.7353 | NPC476686 |
Intermediate Similarity | 0.7353 | NPC476688 |
Intermediate Similarity | 0.7353 | NPC105758 |
Intermediate Similarity | 0.7351 | NPC223427 |
Intermediate Similarity | 0.7349 | NPC279918 |
Intermediate Similarity | 0.7348 | NPC205403 |
Intermediate Similarity | 0.7342 | NPC63157 |
Intermediate Similarity | 0.7342 | NPC473868 |
Intermediate Similarity | 0.7341 | NPC256268 |
Intermediate Similarity | 0.7337 | NPC201700 |
Intermediate Similarity | 0.7337 | NPC278874 |
Intermediate Similarity | 0.7333 | NPC329541 |
Intermediate Similarity | 0.7333 | NPC469762 |
Intermediate Similarity | 0.733 | NPC314002 |
Intermediate Similarity | 0.7326 | NPC121903 |
Intermediate Similarity | 0.7325 | NPC88097 |
Intermediate Similarity | 0.7321 | NPC470508 |
Intermediate Similarity | 0.7321 | NPC471178 |
Intermediate Similarity | 0.732 | NPC475450 |
Intermediate Similarity | 0.732 | NPC324611 |
Intermediate Similarity | 0.7317 | NPC471458 |
Intermediate Similarity | 0.7314 | NPC220765 |
Intermediate Similarity | 0.7314 | NPC212535 |
Intermediate Similarity | 0.7312 | NPC159856 |
Intermediate Similarity | 0.7312 | NPC314372 |
Intermediate Similarity | 0.7303 | NPC46413 |
Intermediate Similarity | 0.7299 | NPC198339 |
Intermediate Similarity | 0.7296 | NPC477890 |
Intermediate Similarity | 0.729 | NPC198988 |
Intermediate Similarity | 0.7289 | NPC230869 |
Intermediate Similarity | 0.7288 | NPC478077 |
Intermediate Similarity | 0.7288 | NPC314573 |
Intermediate Similarity | 0.7285 | NPC471313 |
Intermediate Similarity | 0.7285 | NPC471311 |
Intermediate Similarity | 0.7283 | NPC151939 |
Intermediate Similarity | 0.7278 | NPC280964 |
Intermediate Similarity | 0.7278 | NPC114335 |
Molecular Weight   | 366.17 |
ALogP   | -0.4808 |
MLogP   | 3.88 |
XLogP   | 9.247 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 45.48 |
RO5 Violation   | 1 |