Drug ID:   | NPD7720 |
Drug Name:   | Tabimorelin |
Molecular Formula:   | C32H40N4O3 |
Canonical SMILES:   | CN=C([C@H](N(C(=O)[C@H](N(C(=O)/C=C/CC(N)(C)C)C)Cc1ccc2c(c1)cccc2)C)Cc1ccccc1)O |
Standard InCHI:   | InChI=1S/C32H40N4O3/c1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23/h6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38)/b16-11+/t27-,28-/m1/s1 |
Standard InCHIKey:   | WURGZWOTGMLDJP-ZCYANPAGSA-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 | 0.8456 | NPC111428 |
Intermediate Similarity | 0.8321 | NPC473322 |
Intermediate Similarity | 0.8209 | NPC71684 |
Intermediate Similarity | 0.812 | NPC470546 |
Intermediate Similarity | 0.8102 | NPC101719 |
Intermediate Similarity | 0.8071 | NPC255447 |
Intermediate Similarity | 0.8045 | NPC470545 |
Intermediate Similarity | 0.8029 | NPC222466 |
Intermediate Similarity | 0.8029 | NPC22746 |
Intermediate Similarity | 0.797 | NPC239357 |
Intermediate Similarity | 0.797 | NPC470544 |
Intermediate Similarity | 0.7862 | NPC132636 |
Intermediate Similarity | 0.7687 | NPC33742 |
Intermediate Similarity | 0.7643 | NPC473003 |
Intermediate Similarity | 0.7612 | NPC35850 |
Intermediate Similarity | 0.7612 | NPC276949 |
Intermediate Similarity | 0.7609 | NPC200964 |
Intermediate Similarity | 0.75 | NPC469903 |
Intermediate Similarity | 0.75 | NPC200589 |
Intermediate Similarity | 0.7467 | NPC161069 |
Intermediate Similarity | 0.7362 | NPC469904 |
Intermediate Similarity | 0.7325 | NPC473002 |
Intermediate Similarity | 0.7324 | NPC6975 |
Intermediate Similarity | 0.7319 | NPC14672 |
Intermediate Similarity | 0.7319 | NPC285926 |
Intermediate Similarity | 0.7319 | NPC315276 |
Intermediate Similarity | 0.7312 | NPC469902 |
Intermediate Similarity | 0.7308 | NPC233702 |
Intermediate Similarity | 0.7292 | NPC477937 |
Intermediate Similarity | 0.7273 | NPC138775 |
Intermediate Similarity | 0.7261 | NPC122590 |
Intermediate Similarity | 0.7259 | NPC319579 |
Intermediate Similarity | 0.7255 | NPC209509 |
Intermediate Similarity | 0.7241 | NPC319766 |
Intermediate Similarity | 0.7214 | NPC220698 |
Intermediate Similarity | 0.7211 | NPC130309 |
Intermediate Similarity | 0.72 | NPC127741 |
Intermediate Similarity | 0.7183 | NPC202521 |
Intermediate Similarity | 0.7179 | NPC254798 |
Intermediate Similarity | 0.7178 | NPC223207 |
Intermediate Similarity | 0.7171 | NPC269398 |
Intermediate Similarity | 0.7171 | NPC263493 |
Intermediate Similarity | 0.7161 | NPC135121 |
Intermediate Similarity | 0.7153 | NPC474584 |
Intermediate Similarity | 0.7143 | NPC473418 |
Intermediate Similarity | 0.7134 | NPC304074 |
Intermediate Similarity | 0.7134 | NPC471771 |
Intermediate Similarity | 0.7134 | NPC290755 |
Intermediate Similarity | 0.7124 | NPC139326 |
Intermediate Similarity | 0.7113 | NPC476990 |
Intermediate Similarity | 0.7101 | NPC473001 |
Intermediate Similarity | 0.7083 | NPC46427 |
Intermediate Similarity | 0.7073 | NPC189116 |
Intermediate Similarity | 0.707 | NPC2501 |
Intermediate Similarity | 0.7067 | NPC248283 |
Intermediate Similarity | 0.7055 | NPC136453 |
Intermediate Similarity | 0.7051 | NPC16188 |
Intermediate Similarity | 0.7047 | NPC246913 |
Intermediate Similarity | 0.7037 | NPC319320 |
Intermediate Similarity | 0.7037 | NPC287757 |
Intermediate Similarity | 0.7032 | NPC5620 |
Intermediate Similarity | 0.7032 | NPC201244 |
Intermediate Similarity | 0.7032 | NPC477217 |
Intermediate Similarity | 0.7027 | NPC300315 |
Intermediate Similarity | 0.7014 | NPC252878 |
Intermediate Similarity | 0.7007 | NPC105114 |
Intermediate Similarity | 0.7007 | NPC89923 |
Intermediate Similarity | 0.7007 | NPC152850 |
Intermediate Similarity | 0.7007 | NPC239990 |
Intermediate Similarity | 0.7007 | NPC71933 |
Intermediate Similarity | 0.7006 | NPC105717 |
Remote Similarity | 0.6994 | NPC469243 |
Remote Similarity | 0.6993 | NPC27833 |
Remote Similarity | 0.6993 | NPC163392 |
Remote Similarity | 0.6993 | NPC239762 |
Remote Similarity | 0.6988 | NPC328649 |
Remote Similarity | 0.6987 | NPC262077 |
Remote Similarity | 0.6974 | NPC43755 |
Remote Similarity | 0.6968 | NPC476978 |
Remote Similarity | 0.6968 | NPC52748 |
Remote Similarity | 0.6966 | NPC175726 |
Remote Similarity | 0.6966 | NPC474082 |
Remote Similarity | 0.6954 | NPC474473 |
Remote Similarity | 0.6954 | NPC141050 |
Remote Similarity | 0.6937 | NPC473341 |
Remote Similarity | 0.6933 | NPC104345 |
Remote Similarity | 0.6928 | NPC470884 |
Remote Similarity | 0.6928 | NPC98424 |
Remote Similarity | 0.6928 | NPC92784 |
Remote Similarity | 0.6928 | NPC178662 |
Remote Similarity | 0.6928 | NPC476133 |
Remote Similarity | 0.6923 | NPC315266 |
Remote Similarity | 0.6903 | NPC197682 |
Remote Similarity | 0.689 | NPC471527 |
Remote Similarity | 0.689 | NPC475544 |
Remote Similarity | 0.6887 | NPC287401 |
Remote Similarity | 0.6883 | NPC476259 |
Remote Similarity | 0.6883 | NPC153007 |
Remote Similarity | 0.6867 | NPC157311 |
Remote Similarity | 0.6867 | NPC126458 |
Remote Similarity | 0.6863 | NPC471265 |
Remote Similarity | 0.6863 | NPC471264 |
Remote Similarity | 0.6863 | NPC68865 |
Remote Similarity | 0.6855 | NPC129666 |
Remote Similarity | 0.6842 | NPC196243 |
Remote Similarity | 0.6839 | NPC168113 |
Remote Similarity | 0.6838 | NPC45033 |
Remote Similarity | 0.6838 | NPC327481 |
Remote Similarity | 0.6835 | NPC329761 |
Remote Similarity | 0.6835 | NPC225648 |
Remote Similarity | 0.6832 | NPC202198 |
Remote Similarity | 0.6832 | NPC286551 |
Remote Similarity | 0.6829 | NPC469898 |
Remote Similarity | 0.6821 | NPC325479 |
Remote Similarity | 0.6821 | NPC8761 |
Remote Similarity | 0.6821 | NPC44805 |
Remote Similarity | 0.6795 | NPC176226 |
Remote Similarity | 0.6792 | NPC471821 |
Remote Similarity | 0.6792 | NPC471820 |
Remote Similarity | 0.6788 | NPC469901 |
Remote Similarity | 0.6786 | NPC141957 |
Remote Similarity | 0.6774 | NPC307357 |
Remote Similarity | 0.6774 | NPC46098 |
Remote Similarity | 0.6774 | NPC268841 |
Remote Similarity | 0.6772 | NPC314114 |
Remote Similarity | 0.6768 | NPC324850 |
Remote Similarity | 0.6768 | NPC197743 |
Remote Similarity | 0.6768 | NPC297145 |
Remote Similarity | 0.6766 | NPC63931 |
Remote Similarity | 0.6765 | NPC67043 |
Remote Similarity | 0.6761 | NPC473573 |
Remote Similarity | 0.6757 | NPC79698 |
Remote Similarity | 0.6752 | NPC315283 |
Remote Similarity | 0.6752 | NPC314388 |
Remote Similarity | 0.6748 | NPC473580 |
Remote Similarity | 0.6747 | NPC241794 |
Remote Similarity | 0.6741 | NPC164859 |
Remote Similarity | 0.6736 | NPC310467 |
Remote Similarity | 0.6735 | NPC35996 |
Remote Similarity | 0.6733 | NPC469666 |
Remote Similarity | 0.6731 | NPC469426 |
Remote Similarity | 0.6731 | NPC469427 |
Remote Similarity | 0.6731 | NPC476989 |
Remote Similarity | 0.673 | NPC311658 |
Remote Similarity | 0.6715 | NPC473498 |
Remote Similarity | 0.6714 | NPC329011 |
Remote Similarity | 0.6711 | NPC473962 |
Remote Similarity | 0.6711 | NPC119326 |
Remote Similarity | 0.6711 | NPC257390 |
Remote Similarity | 0.671 | NPC89489 |
Remote Similarity | 0.6709 | NPC471680 |
Remote Similarity | 0.6709 | NPC313867 |
Remote Similarity | 0.6709 | NPC316008 |
Remote Similarity | 0.6708 | NPC324081 |
Remote Similarity | 0.6707 | NPC471051 |
Remote Similarity | 0.6707 | NPC289776 |
Remote Similarity | 0.6707 | NPC133470 |
Remote Similarity | 0.6707 | NPC191863 |
Remote Similarity | 0.6707 | NPC471052 |
Remote Similarity | 0.6707 | NPC471053 |
Remote Similarity | 0.6706 | NPC198254 |
Remote Similarity | 0.6706 | NPC274198 |
Remote Similarity | 0.669 | NPC246904 |
Remote Similarity | 0.6688 | NPC468984 |
Remote Similarity | 0.6688 | NPC77905 |
Remote Similarity | 0.6686 | NPC158277 |
Remote Similarity | 0.6667 | NPC169328 |
Remote Similarity | 0.6667 | NPC314358 |
Remote Similarity | 0.6647 | NPC73644 |
Remote Similarity | 0.6646 | NPC13470 |
Remote Similarity | 0.6644 | NPC4974 |
Remote Similarity | 0.6644 | NPC47667 |
Remote Similarity | 0.6643 | NPC197470 |
Remote Similarity | 0.6642 | NPC12730 |
Remote Similarity | 0.6628 | NPC475532 |
Remote Similarity | 0.6628 | NPC306804 |
Remote Similarity | 0.6627 | NPC1390 |
Remote Similarity | 0.6627 | NPC62104 |
Remote Similarity | 0.6625 | NPC145113 |
Remote Similarity | 0.6618 | NPC471317 |
Remote Similarity | 0.6618 | NPC202613 |
Remote Similarity | 0.6617 | NPC311242 |
Remote Similarity | 0.6617 | NPC475439 |
Remote Similarity | 0.6617 | NPC473501 |
Remote Similarity | 0.6608 | NPC276506 |
Remote Similarity | 0.6605 | NPC7817 |
Remote Similarity | 0.6605 | NPC475168 |
Remote Similarity | 0.6604 | NPC322878 |
Remote Similarity | 0.6603 | NPC313694 |
Remote Similarity | 0.6603 | NPC77992 |
Remote Similarity | 0.6603 | NPC242159 |
Remote Similarity | 0.6601 | NPC246079 |
Remote Similarity | 0.659 | NPC164608 |
Remote Similarity | 0.659 | NPC159767 |
Remote Similarity | 0.659 | NPC165285 |
Remote Similarity | 0.659 | NPC155506 |
Remote Similarity | 0.659 | NPC326407 |
Remote Similarity | 0.659 | NPC317725 |
Remote Similarity | 0.659 | NPC477462 |
Remote Similarity | 0.6584 | NPC240848 |
TTD   | DIB000311 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 528.31 |
ALogP   | -1.3023 |
MLogP   | 4.21 |
XLogP   | 8.916 |
HDA   | 7 |
HBD   | 2 |
Rotatable Bonds   | 20 |
TPSA   | 99.23 |
RO5 Violation   | 2 |