Drug ID:   | NPD7171 |
Drug Name:   | Relugolix |
Molecular Formula:   | C29H27F2N7O5S |
Canonical SMILES:   | CON=C(Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC)O |
Standard InCHI:   | InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40) |
Standard InCHIKey:   | AOMXMOCNKJTRQP-UHFFFAOYSA-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 |
---|---|---|
Remote Similarity | 0.6598 | NPC243850 |
Remote Similarity | 0.6587 | NPC257851 |
Remote Similarity | 0.6587 | NPC157931 |
Remote Similarity | 0.6496 | NPC471762 |
Remote Similarity | 0.6496 | NPC66777 |
Remote Similarity | 0.6349 | NPC323969 |
Remote Similarity | 0.6304 | NPC315822 |
Remote Similarity | 0.6186 | NPC135601 |
Remote Similarity | 0.6186 | NPC141612 |
Remote Similarity | 0.6186 | NPC17273 |
Remote Similarity | 0.6141 | NPC198401 |
Remote Similarity | 0.6139 | NPC478078 |
Remote Similarity | 0.6117 | NPC303374 |
Remote Similarity | 0.6109 | NPC220851 |
Remote Similarity | 0.6107 | NPC477516 |
Remote Similarity | 0.6 | NPC478075 |
Remote Similarity | 0.6 | NPC471155 |
Remote Similarity | 0.6 | NPC322064 |
Remote Similarity | 0.6 | NPC62995 |
Remote Similarity | 0.5992 | NPC311906 |
Remote Similarity | 0.5976 | NPC270241 |
Remote Similarity | 0.596 | NPC225400 |
Remote Similarity | 0.5953 | NPC248601 |
Remote Similarity | 0.5936 | NPC470786 |
Remote Similarity | 0.5936 | NPC472538 |
Remote Similarity | 0.5929 | NPC471304 |
Remote Similarity | 0.5921 | NPC478083 |
Remote Similarity | 0.5918 | NPC473187 |
Remote Similarity | 0.59 | NPC21429 |
Remote Similarity | 0.5891 | NPC313587 |
Remote Similarity | 0.5891 | NPC316110 |
Remote Similarity | 0.5891 | NPC315893 |
Remote Similarity | 0.5882 | NPC208522 |
Remote Similarity | 0.5865 | NPC473186 |
Remote Similarity | 0.5862 | NPC478141 |
Remote Similarity | 0.5861 | NPC475666 |
Remote Similarity | 0.5858 | NPC477549 |
Remote Similarity | 0.5854 | NPC472539 |
Remote Similarity | 0.5854 | NPC472540 |
Remote Similarity | 0.5854 | NPC470787 |
Remote Similarity | 0.5853 | NPC305984 |
Remote Similarity | 0.5853 | NPC471197 |
Remote Similarity | 0.5852 | NPC475816 |
Remote Similarity | 0.5846 | NPC75179 |
Remote Similarity | 0.5841 | NPC117032 |
Remote Similarity | 0.583 | NPC96321 |
Remote Similarity | 0.583 | NPC472542 |
Remote Similarity | 0.583 | NPC471198 |
Remote Similarity | 0.583 | NPC472541 |
Remote Similarity | 0.5824 | NPC81939 |
Remote Similarity | 0.5821 | NPC208898 |
Remote Similarity | 0.5821 | NPC39370 |
Remote Similarity | 0.5818 | NPC63971 |
Remote Similarity | 0.5818 | NPC91868 |
Remote Similarity | 0.5817 | NPC471615 |
Remote Similarity | 0.5815 | NPC101350 |
Remote Similarity | 0.5814 | NPC148183 |
Remote Similarity | 0.5814 | NPC152768 |
Remote Similarity | 0.5811 | NPC194740 |
Remote Similarity | 0.581 | NPC16249 |
Remote Similarity | 0.5806 | NPC53534 |
Remote Similarity | 0.5805 | NPC49547 |
Remote Similarity | 0.5802 | NPC216612 |
Remote Similarity | 0.5797 | NPC51854 |
Remote Similarity | 0.5792 | NPC244425 |
Remote Similarity | 0.5792 | NPC15384 |
Remote Similarity | 0.5785 | NPC472099 |
Remote Similarity | 0.5782 | NPC17437 |
Remote Similarity | 0.5779 | NPC473569 |
Remote Similarity | 0.5778 | NPC235685 |
Remote Similarity | 0.5774 | NPC222592 |
Remote Similarity | 0.5774 | NPC168486 |
Remote Similarity | 0.5774 | NPC74575 |
Remote Similarity | 0.5772 | NPC477066 |
Remote Similarity | 0.5769 | NPC473041 |
Remote Similarity | 0.5761 | NPC9729 |
Remote Similarity | 0.5758 | NPC19170 |
Remote Similarity | 0.5754 | NPC295548 |
Remote Similarity | 0.5751 | NPC477067 |
Remote Similarity | 0.5751 | NPC478082 |
Remote Similarity | 0.5751 | NPC478081 |
Remote Similarity | 0.5746 | NPC474192 |
Remote Similarity | 0.5746 | NPC475720 |
Remote Similarity | 0.5746 | NPC196718 |
Remote Similarity | 0.5744 | NPC133003 |
Remote Similarity | 0.5736 | NPC473006 |
Remote Similarity | 0.5735 | NPC329982 |
Remote Similarity | 0.573 | NPC116622 |
Remote Similarity | 0.573 | NPC142385 |
Remote Similarity | 0.5725 | NPC285192 |
Remote Similarity | 0.5725 | NPC473105 |
Remote Similarity | 0.5725 | NPC329631 |
Remote Similarity | 0.5725 | NPC141053 |
Remote Similarity | 0.572 | NPC322482 |
Remote Similarity | 0.572 | NPC184680 |
Remote Similarity | 0.572 | NPC122436 |
Remote Similarity | 0.5714 | NPC478080 |
Remote Similarity | 0.5709 | NPC45190 |
Remote Similarity | 0.5709 | NPC315411 |
Remote Similarity | 0.5709 | NPC300156 |
Remote Similarity | 0.5699 | NPC470785 |
Remote Similarity | 0.5699 | NPC470784 |
Remote Similarity | 0.5693 | NPC297862 |
Remote Similarity | 0.5693 | NPC72905 |
Remote Similarity | 0.5688 | NPC102593 |
Remote Similarity | 0.5687 | NPC48317 |
Remote Similarity | 0.5685 | NPC230313 |
Remote Similarity | 0.5684 | NPC152620 |
Remote Similarity | 0.568 | NPC100863 |
Remote Similarity | 0.5672 | NPC470548 |
Remote Similarity | 0.5671 | NPC315061 |
Remote Similarity | 0.5663 | NPC67401 |
Remote Similarity | 0.5663 | NPC137353 |
Remote Similarity | 0.5662 | NPC470022 |
Remote Similarity | 0.5661 | NPC314659 |
Remote Similarity | 0.566 | NPC471652 |
Remote Similarity | 0.5659 | NPC87413 |
Remote Similarity | 0.5655 | NPC187145 |
Remote Similarity | 0.5654 | NPC471648 |
Remote Similarity | 0.5649 | NPC303658 |
Remote Similarity | 0.5647 | NPC471191 |
Remote Similarity | 0.5639 | NPC21638 |
Remote Similarity | 0.5637 | NPC153980 |
Remote Similarity | 0.5637 | NPC6865 |
Remote Similarity | 0.5637 | NPC264176 |
Remote Similarity | 0.5636 | NPC478012 |
Remote Similarity | 0.5636 | NPC478011 |
Remote Similarity | 0.5635 | NPC329793 |
Remote Similarity | 0.5634 | NPC41982 |
Remote Similarity | 0.5629 | NPC132385 |
Remote Similarity | 0.5627 | NPC269270 |
Remote Similarity | 0.5627 | NPC288987 |
Remote Similarity | 0.5625 | NPC4687 |
Remote Similarity | 0.5625 | NPC249583 |
Remote Similarity | 0.5623 | NPC244543 |
Remote Similarity | 0.5623 | NPC253987 |
Remote Similarity | 0.562 | NPC197335 |
Remote Similarity | 0.562 | NPC470020 |
Remote Similarity | 0.5618 | NPC470018 |
Remote Similarity | 0.5616 | NPC314176 |
Remote Similarity | 0.5615 | NPC471741 |
Remote Similarity | 0.5614 | NPC473329 |
Remote Similarity | 0.5613 | NPC471944 |
Remote Similarity | 0.5612 | NPC472789 |
Remote Similarity | 0.5611 | NPC27041 |
Remote Similarity | 0.561 | NPC314056 |
Remote Similarity | 0.5609 | NPC180504 |
Remote Similarity | 0.5606 | NPC272174 |
Remote Similarity | 0.5606 | NPC128115 |
Remote Similarity | 0.5606 | NPC14686 |
Remote Similarity | 0.5606 | NPC150239 |
Remote Similarity | 0.5605 | NPC473004 |
Remote Similarity | 0.5603 | NPC475910 |
Remote Similarity | 0.5603 | NPC476465 |
Remote Similarity | 0.5603 | NPC477887 |
Remote Similarity | 0.5602 | NPC476817 |
Molecular Weight   | 623.18 |
ALogP   | 0.8617 |
MLogP   | 3 |
XLogP   | 5.397 |
HDA   | 9 |
HBD   | 2 |
Rotatable Bonds   | 17 |
TPSA   | 160.96 |
RO5 Violation   | 1 |