Drug ID:   | NPD5939 |
Drug Name:   | Indacaterol |
Molecular Formula:   | C24H28N2O3 |
Canonical SMILES:   | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(n2)O)O)O |
Standard InCHI:   | InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 |
Standard InCHIKey:   | QZZUEBNBZAPZLX-QFIPXVFZSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL; 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 | 0.8168 | NPC478032 |
Intermediate Similarity | 0.8134 | NPC314552 |
Intermediate Similarity | 0.8086 | NPC477110 |
Intermediate Similarity | 0.801 | NPC477111 |
Intermediate Similarity | 0.797 | NPC128751 |
Intermediate Similarity | 0.7929 | NPC469497 |
Intermediate Similarity | 0.7929 | NPC106833 |
Intermediate Similarity | 0.7913 | NPC477113 |
Intermediate Similarity | 0.7877 | NPC293151 |
Intermediate Similarity | 0.7789 | NPC246700 |
Intermediate Similarity | 0.7783 | NPC153042 |
Intermediate Similarity | 0.7778 | NPC470500 |
Intermediate Similarity | 0.7762 | NPC5145 |
Intermediate Similarity | 0.7756 | NPC249040 |
Intermediate Similarity | 0.7707 | NPC128823 |
Intermediate Similarity | 0.7707 | NPC476167 |
Intermediate Similarity | 0.7688 | NPC314573 |
Intermediate Similarity | 0.7685 | NPC132642 |
Intermediate Similarity | 0.7678 | NPC199667 |
Intermediate Similarity | 0.7673 | NPC99666 |
Intermediate Similarity | 0.7671 | NPC200888 |
Intermediate Similarity | 0.7667 | NPC18348 |
Intermediate Similarity | 0.7662 | NPC3715 |
Intermediate Similarity | 0.7659 | NPC192315 |
Intermediate Similarity | 0.763 | NPC473181 |
Intermediate Similarity | 0.7629 | NPC259545 |
Intermediate Similarity | 0.7617 | NPC126481 |
Intermediate Similarity | 0.7613 | NPC474701 |
Intermediate Similarity | 0.7606 | NPC473180 |
Intermediate Similarity | 0.758 | NPC51388 |
Intermediate Similarity | 0.7577 | NPC252590 |
Intermediate Similarity | 0.7571 | NPC304183 |
Intermediate Similarity | 0.7563 | NPC88363 |
Intermediate Similarity | 0.7563 | NPC232340 |
Intermediate Similarity | 0.7561 | NPC205403 |
Intermediate Similarity | 0.7557 | NPC473185 |
Intermediate Similarity | 0.7538 | NPC19679 |
Intermediate Similarity | 0.7536 | NPC193777 |
Intermediate Similarity | 0.7526 | NPC314940 |
Intermediate Similarity | 0.7526 | NPC473764 |
Intermediate Similarity | 0.7524 | NPC164374 |
Intermediate Similarity | 0.7524 | NPC137929 |
Intermediate Similarity | 0.7512 | NPC469594 |
Intermediate Similarity | 0.7511 | NPC202503 |
Intermediate Similarity | 0.75 | NPC159319 |
Intermediate Similarity | 0.7488 | NPC471080 |
Intermediate Similarity | 0.7488 | NPC469592 |
Intermediate Similarity | 0.7477 | NPC208284 |
Intermediate Similarity | 0.7477 | NPC473179 |
Intermediate Similarity | 0.7476 | NPC223427 |
Intermediate Similarity | 0.7474 | NPC44161 |
Intermediate Similarity | 0.7463 | NPC94943 |
Intermediate Similarity | 0.7463 | NPC329541 |
Intermediate Similarity | 0.7455 | NPC280272 |
Intermediate Similarity | 0.7453 | NPC283117 |
Intermediate Similarity | 0.7448 | NPC47298 |
Intermediate Similarity | 0.7448 | NPC315214 |
Intermediate Similarity | 0.7442 | NPC294620 |
Intermediate Similarity | 0.7442 | NPC94157 |
Intermediate Similarity | 0.7441 | NPC475070 |
Intermediate Similarity | 0.7438 | NPC242928 |
Intermediate Similarity | 0.7419 | NPC470799 |
Intermediate Similarity | 0.7419 | NPC8022 |
Intermediate Similarity | 0.7413 | NPC190007 |
Intermediate Similarity | 0.7409 | NPC32028 |
Intermediate Similarity | 0.7407 | NPC478074 |
Intermediate Similarity | 0.7403 | NPC208522 |
Intermediate Similarity | 0.7402 | NPC95783 |
Intermediate Similarity | 0.7399 | NPC470126 |
Intermediate Similarity | 0.7395 | NPC294375 |
Intermediate Similarity | 0.7393 | NPC476098 |
Intermediate Similarity | 0.7389 | NPC473182 |
Intermediate Similarity | 0.7387 | NPC72980 |
Intermediate Similarity | 0.7383 | NPC209769 |
Intermediate Similarity | 0.7383 | NPC476116 |
Intermediate Similarity | 0.7376 | NPC42591 |
Intermediate Similarity | 0.7376 | NPC314002 |
Intermediate Similarity | 0.7368 | NPC32200 |
Intermediate Similarity | 0.7366 | NPC253580 |
Intermediate Similarity | 0.7363 | NPC212535 |
Intermediate Similarity | 0.7361 | NPC48353 |
Intermediate Similarity | 0.736 | NPC471294 |
Intermediate Similarity | 0.7358 | NPC329708 |
Intermediate Similarity | 0.7358 | NPC165349 |
Intermediate Similarity | 0.7358 | NPC264166 |
Intermediate Similarity | 0.7358 | NPC274291 |
Intermediate Similarity | 0.7358 | NPC47059 |
Intermediate Similarity | 0.7358 | NPC118832 |
Intermediate Similarity | 0.734 | NPC171171 |
Intermediate Similarity | 0.7336 | NPC475910 |
Intermediate Similarity | 0.733 | NPC141915 |
Intermediate Similarity | 0.733 | NPC114335 |
Intermediate Similarity | 0.733 | NPC324149 |
Intermediate Similarity | 0.733 | NPC280964 |
Intermediate Similarity | 0.7327 | NPC204717 |
Intermediate Similarity | 0.7315 | NPC9894 |
Intermediate Similarity | 0.7313 | NPC474798 |
Intermediate Similarity | 0.7308 | NPC472193 |
Intermediate Similarity | 0.7304 | NPC46580 |
Intermediate Similarity | 0.7302 | NPC469589 |
Intermediate Similarity | 0.7301 | NPC476451 |
Intermediate Similarity | 0.7293 | NPC473183 |
Intermediate Similarity | 0.7291 | NPC476319 |
Intermediate Similarity | 0.7285 | NPC174049 |
Intermediate Similarity | 0.7285 | NPC225279 |
Intermediate Similarity | 0.7281 | NPC26679 |
Intermediate Similarity | 0.7277 | NPC220765 |
Intermediate Similarity | 0.7273 | NPC470395 |
Intermediate Similarity | 0.7273 | NPC34508 |
Intermediate Similarity | 0.7273 | NPC77555 |
Intermediate Similarity | 0.7273 | NPC70956 |
Intermediate Similarity | 0.7273 | NPC243834 |
Intermediate Similarity | 0.7269 | NPC49547 |
Intermediate Similarity | 0.7265 | NPC167908 |
Intermediate Similarity | 0.7264 | NPC470678 |
Intermediate Similarity | 0.7263 | NPC153769 |
Intermediate Similarity | 0.726 | NPC183407 |
Intermediate Similarity | 0.726 | NPC469928 |
Intermediate Similarity | 0.7243 | NPC472111 |
Intermediate Similarity | 0.7243 | NPC474145 |
Intermediate Similarity | 0.7243 | NPC475841 |
Intermediate Similarity | 0.723 | NPC477135 |
Intermediate Similarity | 0.723 | NPC475774 |
Intermediate Similarity | 0.7228 | NPC314394 |
Intermediate Similarity | 0.7225 | NPC477112 |
Intermediate Similarity | 0.7225 | NPC474688 |
Intermediate Similarity | 0.7222 | NPC158129 |
Intermediate Similarity | 0.722 | NPC470501 |
Intermediate Similarity | 0.7215 | NPC118228 |
Intermediate Similarity | 0.7214 | NPC472443 |
Intermediate Similarity | 0.7212 | NPC45850 |
Intermediate Similarity | 0.7212 | NPC274640 |
Intermediate Similarity | 0.7205 | NPC473184 |
Intermediate Similarity | 0.72 | NPC103687 |
Intermediate Similarity | 0.72 | NPC132631 |
Intermediate Similarity | 0.7198 | NPC475844 |
Intermediate Similarity | 0.7195 | NPC204446 |
Intermediate Similarity | 0.7195 | NPC173080 |
Intermediate Similarity | 0.7193 | NPC469554 |
Intermediate Similarity | 0.7191 | NPC471891 |
Intermediate Similarity | 0.719 | NPC474188 |
Intermediate Similarity | 0.7186 | NPC474409 |
Intermediate Similarity | 0.7186 | NPC11408 |
Intermediate Similarity | 0.7183 | NPC66815 |
Intermediate Similarity | 0.7182 | NPC330009 |
Intermediate Similarity | 0.7179 | NPC284141 |
Intermediate Similarity | 0.7178 | NPC198339 |
Intermediate Similarity | 0.7176 | NPC61637 |
Intermediate Similarity | 0.7175 | NPC470502 |
Intermediate Similarity | 0.717 | NPC329747 |
Intermediate Similarity | 0.717 | NPC329793 |
Intermediate Similarity | 0.7169 | NPC266931 |
Intermediate Similarity | 0.7169 | NPC162530 |
Intermediate Similarity | 0.7166 | NPC470404 |
Intermediate Similarity | 0.7166 | NPC470394 |
Intermediate Similarity | 0.7166 | NPC470403 |
Intermediate Similarity | 0.7163 | NPC476106 |
Intermediate Similarity | 0.7162 | NPC148409 |
Intermediate Similarity | 0.7156 | NPC179287 |
Intermediate Similarity | 0.7156 | NPC313884 |
Intermediate Similarity | 0.7156 | NPC98371 |
Intermediate Similarity | 0.7155 | NPC477861 |
Intermediate Similarity | 0.7155 | NPC41501 |
Intermediate Similarity | 0.715 | NPC476138 |
Intermediate Similarity | 0.715 | NPC245816 |
Intermediate Similarity | 0.7143 | NPC162748 |
Intermediate Similarity | 0.7143 | NPC302191 |
Intermediate Similarity | 0.7143 | NPC161292 |
Intermediate Similarity | 0.7143 | NPC251090 |
Intermediate Similarity | 0.7143 | NPC118511 |
Intermediate Similarity | 0.7143 | NPC144452 |
Intermediate Similarity | 0.7143 | NPC185782 |
Intermediate Similarity | 0.7129 | NPC270009 |
Intermediate Similarity | 0.7124 | NPC217554 |
Intermediate Similarity | 0.7124 | NPC470018 |
Intermediate Similarity | 0.7116 | NPC470930 |
Intermediate Similarity | 0.7114 | NPC203754 |
Intermediate Similarity | 0.7114 | NPC150048 |
Intermediate Similarity | 0.7112 | NPC60553 |
Intermediate Similarity | 0.7111 | NPC470503 |
Intermediate Similarity | 0.7108 | NPC472444 |
Intermediate Similarity | 0.7104 | NPC74969 |
Intermediate Similarity | 0.7103 | NPC475085 |
Intermediate Similarity | 0.7103 | NPC291535 |
Intermediate Similarity | 0.7103 | NPC475112 |
Intermediate Similarity | 0.71 | NPC313791 |
Intermediate Similarity | 0.7095 | NPC276517 |
Intermediate Similarity | 0.7093 | NPC74575 |
Intermediate Similarity | 0.7085 | NPC193267 |
Intermediate Similarity | 0.7085 | NPC213530 |
Intermediate Similarity | 0.7079 | NPC293472 |
Intermediate Similarity | 0.7079 | NPC184964 |
Intermediate Similarity | 0.7075 | NPC306376 |
Intermediate Similarity | 0.7074 | NPC475253 |
Intermediate Similarity | 0.7073 | NPC62069 |
Intermediate Similarity | 0.7072 | NPC304926 |
Intermediate Similarity | 0.7072 | NPC476041 |
Intermediate Similarity | 0.7067 | NPC118121 |
Intermediate Similarity | 0.7067 | NPC122463 |
Intermediate Similarity | 0.7065 | NPC189812 |
TTD   | DCL000846; DNCL002037; DCL000942 |
DrugBank   | DB05039 |
ChEMBL   | CHEMBL1095777 |
IUPHAR/BPS   | 7455 |
PharmaGKB   | PA165958348 |
KEGG Drug   | D09318 |
PubChem CID   | 6918554; 11564052 |
ChEBI   | 68575 |
CAS Number   | 312753-06-3 |
Molecular Weight   | 392.21 |
ALogP   | -1.1519 |
MLogP   | 3.55 |
XLogP   | 5.157 |
HDA   | 3 |
HBD   | 4 |
Rotatable Bonds   | 11 |
TPSA   | 85.61 |
RO5 Violation   | 1 |