Drug ID:   | NPD6455 |
Drug Name:   | Lestaurtinib |
Molecular Formula:   | C26H21N3O4 |
Canonical SMILES:   | OC[C@@]1(O)C[C@H]2O[C@]1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CN=C2O |
Standard InCHI:   | InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 |
Standard InCHIKey:   | UIARLYUEJFELEN-LROUJFHJSA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
High Similarity | 0.9279 | NPC94428 |
High Similarity | 0.9279 | NPC263937 |
High Similarity | 0.9078 | NPC98371 |
High Similarity | 0.9078 | NPC313884 |
Intermediate Similarity | 0.8348 | NPC107836 |
Intermediate Similarity | 0.8209 | NPC195314 |
Intermediate Similarity | 0.785 | NPC294620 |
Intermediate Similarity | 0.7773 | NPC1203 |
Intermediate Similarity | 0.7763 | NPC472207 |
Intermediate Similarity | 0.7683 | NPC279589 |
Intermediate Similarity | 0.7652 | NPC45048 |
Intermediate Similarity | 0.7549 | NPC62510 |
Intermediate Similarity | 0.7548 | NPC473178 |
Intermediate Similarity | 0.7489 | NPC31700 |
Intermediate Similarity | 0.7453 | NPC32200 |
Intermediate Similarity | 0.7402 | NPC472842 |
Intermediate Similarity | 0.7378 | NPC469312 |
Intermediate Similarity | 0.7378 | NPC41318 |
Intermediate Similarity | 0.7376 | NPC56618 |
Intermediate Similarity | 0.7333 | NPC471506 |
Intermediate Similarity | 0.7325 | NPC183426 |
Intermediate Similarity | 0.7317 | NPC314394 |
Intermediate Similarity | 0.7314 | NPC472843 |
Intermediate Similarity | 0.7308 | NPC473177 |
Intermediate Similarity | 0.7289 | NPC132642 |
Intermediate Similarity | 0.7281 | NPC227908 |
Intermediate Similarity | 0.7265 | NPC473565 |
Intermediate Similarity | 0.7254 | NPC472846 |
Intermediate Similarity | 0.7249 | NPC476492 |
Intermediate Similarity | 0.7228 | NPC158129 |
Intermediate Similarity | 0.7227 | NPC469589 |
Intermediate Similarity | 0.722 | NPC133261 |
Intermediate Similarity | 0.7198 | NPC132329 |
Intermediate Similarity | 0.7198 | NPC472444 |
Intermediate Similarity | 0.7156 | NPC477135 |
Intermediate Similarity | 0.7136 | NPC472443 |
Intermediate Similarity | 0.7131 | NPC81175 |
Intermediate Similarity | 0.7129 | NPC473189 |
Intermediate Similarity | 0.7122 | NPC24594 |
Intermediate Similarity | 0.7122 | NPC472122 |
Intermediate Similarity | 0.7115 | NPC19679 |
Intermediate Similarity | 0.7104 | NPC314957 |
Intermediate Similarity | 0.7095 | NPC471564 |
Intermediate Similarity | 0.7087 | NPC211997 |
Intermediate Similarity | 0.7078 | NPC476493 |
Intermediate Similarity | 0.707 | NPC205403 |
Intermediate Similarity | 0.7061 | NPC86078 |
Intermediate Similarity | 0.7053 | NPC270009 |
Intermediate Similarity | 0.7042 | NPC160898 |
Intermediate Similarity | 0.704 | NPC5145 |
Intermediate Similarity | 0.704 | NPC475422 |
Intermediate Similarity | 0.7039 | NPC134586 |
Intermediate Similarity | 0.7039 | NPC472844 |
Intermediate Similarity | 0.7028 | NPC46413 |
Intermediate Similarity | 0.7019 | NPC187827 |
Intermediate Similarity | 0.7019 | NPC472105 |
Intermediate Similarity | 0.7014 | NPC475841 |
Intermediate Similarity | 0.7014 | NPC474145 |
Intermediate Similarity | 0.7005 | NPC102008 |
Intermediate Similarity | 0.7005 | NPC326575 |
Remote Similarity | 0.6995 | NPC95783 |
Remote Similarity | 0.6978 | NPC94157 |
Remote Similarity | 0.6974 | NPC469594 |
Remote Similarity | 0.6967 | NPC476319 |
Remote Similarity | 0.6959 | NPC474188 |
Remote Similarity | 0.6953 | NPC473185 |
Remote Similarity | 0.6952 | NPC472109 |
Remote Similarity | 0.6952 | NPC472110 |
Remote Similarity | 0.6952 | NPC48938 |
Remote Similarity | 0.6951 | NPC87755 |
Remote Similarity | 0.6947 | NPC469592 |
Remote Similarity | 0.6947 | NPC478074 |
Remote Similarity | 0.6947 | NPC471080 |
Remote Similarity | 0.6946 | NPC471583 |
Remote Similarity | 0.6946 | NPC471782 |
Remote Similarity | 0.6933 | NPC473183 |
Remote Similarity | 0.6927 | NPC212213 |
Remote Similarity | 0.6927 | NPC149708 |
Remote Similarity | 0.6923 | NPC252251 |
Remote Similarity | 0.6923 | NPC253580 |
Remote Similarity | 0.692 | NPC473184 |
Remote Similarity | 0.6913 | NPC477533 |
Remote Similarity | 0.6911 | NPC131273 |
Remote Similarity | 0.6911 | NPC473441 |
Remote Similarity | 0.6908 | NPC329688 |
Remote Similarity | 0.6908 | NPC189812 |
Remote Similarity | 0.6908 | NPC472586 |
Remote Similarity | 0.6904 | NPC278540 |
Remote Similarity | 0.6903 | NPC475778 |
Remote Similarity | 0.6901 | NPC311451 |
Remote Similarity | 0.6901 | NPC284141 |
Remote Similarity | 0.6892 | NPC314648 |
Remote Similarity | 0.688 | NPC470126 |
Remote Similarity | 0.6878 | NPC193761 |
Remote Similarity | 0.6864 | NPC477531 |
Remote Similarity | 0.6862 | NPC285343 |
Remote Similarity | 0.6861 | NPC472111 |
Remote Similarity | 0.686 | NPC472845 |
Remote Similarity | 0.686 | NPC34508 |
Remote Similarity | 0.6851 | NPC33949 |
Remote Similarity | 0.6847 | NPC475774 |
Remote Similarity | 0.6838 | NPC202503 |
Remote Similarity | 0.683 | NPC166492 |
Remote Similarity | 0.683 | NPC473362 |
Remote Similarity | 0.6828 | NPC473180 |
Remote Similarity | 0.6822 | NPC209174 |
Remote Similarity | 0.6818 | NPC288445 |
Remote Similarity | 0.6816 | NPC470500 |
Remote Similarity | 0.6816 | NPC475070 |
Remote Similarity | 0.6814 | NPC126066 |
Remote Similarity | 0.6814 | NPC234999 |
Remote Similarity | 0.6812 | NPC472027 |
Remote Similarity | 0.681 | NPC477532 |
Remote Similarity | 0.6808 | NPC15102 |
Remote Similarity | 0.6807 | NPC473182 |
Remote Similarity | 0.6805 | NPC477861 |
Remote Similarity | 0.6798 | NPC473757 |
Remote Similarity | 0.6792 | NPC28945 |
Remote Similarity | 0.6792 | NPC472108 |
Remote Similarity | 0.6792 | NPC139291 |
Remote Similarity | 0.6791 | NPC246700 |
Remote Similarity | 0.6791 | NPC128751 |
Remote Similarity | 0.6784 | NPC208284 |
Remote Similarity | 0.6783 | NPC312645 |
Remote Similarity | 0.6783 | NPC472285 |
Remote Similarity | 0.6781 | NPC162748 |
Remote Similarity | 0.6779 | NPC313791 |
Remote Similarity | 0.6777 | NPC217554 |
Remote Similarity | 0.6777 | NPC15840 |
Remote Similarity | 0.6776 | NPC471891 |
Remote Similarity | 0.6773 | NPC239954 |
Remote Similarity | 0.6763 | NPC280548 |
Remote Similarity | 0.6763 | NPC11408 |
Remote Similarity | 0.6761 | NPC472294 |
Remote Similarity | 0.6759 | NPC469497 |
Remote Similarity | 0.6759 | NPC106833 |
Remote Similarity | 0.6758 | NPC231342 |
Remote Similarity | 0.6756 | NPC314297 |
Remote Similarity | 0.6756 | NPC53344 |
Remote Similarity | 0.6756 | NPC315545 |
Remote Similarity | 0.6743 | NPC279401 |
Remote Similarity | 0.6743 | NPC198673 |
Remote Similarity | 0.6743 | NPC79293 |
Remote Similarity | 0.6741 | NPC470505 |
Remote Similarity | 0.674 | NPC314834 |
Remote Similarity | 0.674 | NPC199667 |
Remote Similarity | 0.6739 | NPC251936 |
Remote Similarity | 0.6737 | NPC6215 |
Remote Similarity | 0.6737 | NPC470873 |
Remote Similarity | 0.6737 | NPC110151 |
Remote Similarity | 0.6736 | NPC220852 |
Remote Similarity | 0.6732 | NPC476118 |
Remote Similarity | 0.6731 | NPC126492 |
Remote Similarity | 0.6729 | NPC188387 |
Remote Similarity | 0.6729 | NPC163421 |
Remote Similarity | 0.6727 | NPC153042 |
Remote Similarity | 0.6727 | NPC229332 |
Remote Similarity | 0.6726 | NPC470931 |
Remote Similarity | 0.6726 | NPC61637 |
Remote Similarity | 0.6724 | NPC475476 |
Remote Similarity | 0.6724 | NPC242446 |
Remote Similarity | 0.6723 | NPC476818 |
Remote Similarity | 0.6723 | NPC475253 |
Remote Similarity | 0.6716 | NPC81229 |
Remote Similarity | 0.6716 | NPC255229 |
Remote Similarity | 0.6715 | NPC317430 |
Remote Similarity | 0.6714 | NPC121903 |
Remote Similarity | 0.6714 | NPC472104 |
Remote Similarity | 0.6714 | NPC203754 |
Remote Similarity | 0.6714 | NPC150048 |
Remote Similarity | 0.6712 | NPC249040 |
Remote Similarity | 0.6711 | NPC314855 |
Remote Similarity | 0.6711 | NPC315638 |
Remote Similarity | 0.6711 | NPC313796 |
Remote Similarity | 0.6711 | NPC476106 |
Remote Similarity | 0.6711 | NPC313345 |
Remote Similarity | 0.671 | NPC476041 |
Remote Similarity | 0.671 | NPC314552 |
Remote Similarity | 0.671 | NPC304926 |
Remote Similarity | 0.6699 | NPC471294 |
Remote Similarity | 0.6699 | NPC470508 |
Remote Similarity | 0.6698 | NPC478032 |
Remote Similarity | 0.6698 | NPC314573 |
Remote Similarity | 0.6697 | NPC168911 |
Remote Similarity | 0.6696 | NPC473181 |
Remote Similarity | 0.6696 | NPC223427 |
Remote Similarity | 0.6696 | NPC250835 |
Remote Similarity | 0.6696 | NPC476116 |
Remote Similarity | 0.6696 | NPC473650 |
Remote Similarity | 0.6696 | NPC160527 |
Remote Similarity | 0.6696 | NPC469743 |
Remote Similarity | 0.6696 | NPC478157 |
Remote Similarity | 0.6682 | NPC472119 |
Remote Similarity | 0.6682 | NPC284678 |
Remote Similarity | 0.6681 | NPC471634 |
Remote Similarity | 0.6681 | NPC473806 |
Remote Similarity | 0.6681 | NPC204446 |
Remote Similarity | 0.6681 | NPC244741 |
Remote Similarity | 0.668 | NPC94541 |
Remote Similarity | 0.668 | NPC470843 |
Molecular Weight   | 439.15 |
ALogP   | -1.7003 |
MLogP   | 3.55 |
XLogP   | 3.466 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 5 |
TPSA   | 92.14 |
RO5 Violation   | 0 |