Natural Product ID:   | NPC94752 |
Common Name:   | Xenortide B |
IUPAC Name:   | (2S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide |
Synonyms:   | |
Molecular Formula:   | C27H36N4O2 |
Standard InCHIKey:   | SOIIKURIVIWMKK-DQEYMECFSA-N |
Standard InCHI:   | InChI=1S/C27H36N4O2/c1-19(2)16-24(28-3)27(33)31(4)25(17-20-10-6-5-7-11-20)26(32)29-15-14-21-18-30-23-13-9-8-12-22(21)23/h5-13,18-19,24-25,28,30H,14-17H2,1-4H3,(H,29,32)/t24-,25-/m0/s1 |
Canonical SMILES:   | CN[C@H](C(=O)N([C@H](C(=NCCc1c[nH]c2c1cccc2)O)Cc1ccccc1)C)CC(C)C |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0000465 ; |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT176 | Organism | Artemia salina | Artemia salina | IC50 | = | 200 | ug/ml | 8411013 |
NPT839 | Cell Line | L6 | Rattus norvegicus | IC50 | = | 13690 | nM | 18955526 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | = | 111200 | nM | 25240702 |
NPT2258 | Organism | Plasmodium falciparum NF54 | Plasmodium falciparum NF54 | IC50 | = | 760 | nM | 25240702 |
NPT844 | Organism | Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | = | 1570 | nM | 25240702 |
NPT580 | Organism | Trypanosoma cruzi | Trypanosoma cruzi | IC50 | = | 11700 | nM | 25240702 |
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
●  The left chart: Distribution of similarity level between NPC94752 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.9302 | High Similarity | NPC213629 |
0.9294 | High Similarity | NPC228835 |
0.9101 | High Similarity | NPC171317 |
0.9059 | High Similarity | NPC11126 |
0.8914 | High Similarity | NPC17059 |
0.8913 | High Similarity | NPC54420 |
0.884 | High Similarity | NPC293917 |
0.8817 | High Similarity | NPC162860 |
0.8785 | High Similarity | NPC473640 |
0.8772 | High Similarity | NPC469938 |
0.8743 | High Similarity | NPC165495 |
0.8743 | High Similarity | NPC475506 |
0.8736 | High Similarity | NPC100321 |
0.8717 | High Similarity | NPC478158 |
0.8703 | High Similarity | NPC473376 |
0.8698 | High Similarity | NPC160105 |
0.8696 | High Similarity | NPC155143 |
0.8677 | High Similarity | NPC75634 |
0.8621 | High Similarity | NPC126709 |
0.8621 | High Similarity | NPC248041 |
0.8606 | High Similarity | NPC469760 |
0.8606 | High Similarity | NPC259644 |
0.8606 | High Similarity | NPC469765 |
0.8606 | High Similarity | NPC469763 |
0.8606 | High Similarity | NPC469786 |
0.8606 | High Similarity | NPC25008 |
0.8606 | High Similarity | NPC73952 |
0.8588 | High Similarity | NPC474561 |
0.8588 | High Similarity | NPC49954 |
0.8579 | High Similarity | NPC110602 |
0.8579 | High Similarity | NPC31385 |
0.8579 | High Similarity | NPC75726 |
0.8563 | High Similarity | NPC14113 |
0.8563 | High Similarity | NPC145885 |
0.8563 | High Similarity | NPC84827 |
0.8556 | High Similarity | NPC117244 |
0.8556 | High Similarity | NPC473763 |
0.8554 | High Similarity | NPC70922 |
0.8554 | High Similarity | NPC212376 |
0.8554 | High Similarity | NPC75540 |
0.8554 | High Similarity | NPC211572 |
0.8554 | High Similarity | NPC80597 |
0.8549 | High Similarity | NPC281049 |
0.8547 | High Similarity | NPC321708 |
0.8538 | High Similarity | NPC63751 |
0.8519 | High Similarity | NPC223791 |
0.8519 | High Similarity | NPC107077 |
0.8514 | High Similarity | NPC213468 |
0.8514 | High Similarity | NPC283219 |
0.8506 | High Similarity | NPC267885 |
0.8497 | Intermediate Similarity | NPC314603 |
0.849 | Intermediate Similarity | NPC478157 |
0.8466 | Intermediate Similarity | NPC91179 |
0.8454 | Intermediate Similarity | NPC477714 |
0.8452 | Intermediate Similarity | NPC469762 |
0.8448 | Intermediate Similarity | NPC149155 |
0.8448 | Intermediate Similarity | NPC110500 |
0.8448 | Intermediate Similarity | NPC203468 |
0.8429 | Intermediate Similarity | NPC320968 |
0.8415 | Intermediate Similarity | NPC294693 |
0.8412 | Intermediate Similarity | NPC282231 |
0.8393 | Intermediate Similarity | NPC469785 |
0.8385 | Intermediate Similarity | NPC471194 |
0.8385 | Intermediate Similarity | NPC153980 |
0.8385 | Intermediate Similarity | NPC471193 |
0.8385 | Intermediate Similarity | NPC6865 |
0.8363 | Intermediate Similarity | NPC311276 |
0.8353 | Intermediate Similarity | NPC279918 |
0.8352 | Intermediate Similarity | NPC59269 |
0.8342 | Intermediate Similarity | NPC54744 |
0.8342 | Intermediate Similarity | NPC300183 |
0.8333 | Intermediate Similarity | NPC72956 |
0.8333 | Intermediate Similarity | NPC235684 |
0.8324 | Intermediate Similarity | NPC201700 |
0.8308 | Intermediate Similarity | NPC477715 |
0.8278 | Intermediate Similarity | NPC99939 |
0.8278 | Intermediate Similarity | NPC308931 |
0.8278 | Intermediate Similarity | NPC15102 |
0.8256 | Intermediate Similarity | NPC194640 |
0.8251 | Intermediate Similarity | NPC243716 |
0.8242 | Intermediate Similarity | NPC314372 |
0.8218 | Intermediate Similarity | NPC78020 |
0.8212 | Intermediate Similarity | NPC233936 |
0.8202 | Intermediate Similarity | NPC219336 |
0.8201 | Intermediate Similarity | NPC476874 |
0.8191 | Intermediate Similarity | NPC470497 |
0.8182 | Intermediate Similarity | NPC470499 |
0.8163 | Intermediate Similarity | NPC471192 |
0.8161 | Intermediate Similarity | NPC54988 |
0.8159 | Intermediate Similarity | NPC319232 |
0.8159 | Intermediate Similarity | NPC24370 |
0.8155 | Intermediate Similarity | NPC24678 |
0.8155 | Intermediate Similarity | NPC105818 |
0.815 | Intermediate Similarity | NPC40779 |
0.815 | Intermediate Similarity | NPC64216 |
0.8146 | Intermediate Similarity | NPC183662 |
0.8146 | Intermediate Similarity | NPC217372 |
0.8146 | Intermediate Similarity | NPC15573 |
0.8128 | Intermediate Similarity | NPC262898 |
0.8121 | Intermediate Similarity | NPC190296 |
0.8118 | Intermediate Similarity | NPC195239 |
0.8118 | Intermediate Similarity | NPC157828 |
0.81 | Intermediate Similarity | NPC155444 |
0.8079 | Intermediate Similarity | NPC161861 |
0.8075 | Intermediate Similarity | NPC11445 |
0.8075 | Intermediate Similarity | NPC179701 |
0.8068 | Intermediate Similarity | NPC194411 |
0.8059 | Intermediate Similarity | NPC200214 |
0.8056 | Intermediate Similarity | NPC16659 |
0.8045 | Intermediate Similarity | NPC68354 |
0.8045 | Intermediate Similarity | NPC248454 |
0.8039 | Intermediate Similarity | NPC326363 |
0.8033 | Intermediate Similarity | NPC62749 |
0.8033 | Intermediate Similarity | NPC474707 |
0.8024 | Intermediate Similarity | NPC470440 |
0.8023 | Intermediate Similarity | NPC299594 |
0.8022 | Intermediate Similarity | NPC477003 |
0.8011 | Intermediate Similarity | NPC47190 |
0.8 | Intermediate Similarity | NPC469779 |
0.8 | Intermediate Similarity | NPC469783 |
0.8 | Intermediate Similarity | NPC469784 |
0.8 | Intermediate Similarity | NPC469768 |
0.8 | Intermediate Similarity | NPC265710 |
0.8 | Intermediate Similarity | NPC248462 |
0.8 | Intermediate Similarity | NPC469767 |
0.8 | Intermediate Similarity | NPC469761 |
0.8 | Intermediate Similarity | NPC469780 |
0.799 | Intermediate Similarity | NPC191382 |
0.799 | Intermediate Similarity | NPC56109 |
0.7989 | Intermediate Similarity | NPC265576 |
0.798 | Intermediate Similarity | NPC470732 |
0.798 | Intermediate Similarity | NPC470731 |
0.7977 | Intermediate Similarity | NPC135141 |
0.7977 | Intermediate Similarity | NPC92796 |
0.7957 | Intermediate Similarity | NPC476460 |
0.7956 | Intermediate Similarity | NPC300688 |
0.7956 | Intermediate Similarity | NPC469896 |
0.7952 | Intermediate Similarity | NPC469766 |
0.7951 | Intermediate Similarity | NPC69843 |
0.7946 | Intermediate Similarity | NPC173028 |
0.7946 | Intermediate Similarity | NPC65215 |
0.7944 | Intermediate Similarity | NPC111275 |
0.7944 | Intermediate Similarity | NPC64436 |
0.7944 | Intermediate Similarity | NPC473380 |
0.7944 | Intermediate Similarity | NPC151939 |
0.7944 | Intermediate Similarity | NPC240088 |
0.7941 | Intermediate Similarity | NPC53947 |
0.7939 | Intermediate Similarity | NPC73767 |
0.7937 | Intermediate Similarity | NPC227582 |
0.7933 | Intermediate Similarity | NPC37423 |
0.7933 | Intermediate Similarity | NPC275305 |
0.7931 | Intermediate Similarity | NPC131718 |
0.7923 | Intermediate Similarity | NPC323752 |
0.7917 | Intermediate Similarity | NPC159856 |
0.7917 | Intermediate Similarity | NPC193761 |
0.7912 | Intermediate Similarity | NPC71037 |
0.7901 | Intermediate Similarity | NPC55772 |
0.7895 | Intermediate Similarity | NPC131887 |
0.7892 | Intermediate Similarity | NPC204565 |
0.7892 | Intermediate Similarity | NPC317030 |
0.7885 | Intermediate Similarity | NPC325976 |
0.788 | Intermediate Similarity | NPC133003 |
0.788 | Intermediate Similarity | NPC280290 |
0.7876 | Intermediate Similarity | NPC317701 |
0.7874 | Intermediate Similarity | NPC230869 |
0.7869 | Intermediate Similarity | NPC163055 |
0.7864 | Intermediate Similarity | NPC477176 |
0.7864 | Intermediate Similarity | NPC470730 |
0.7864 | Intermediate Similarity | NPC470729 |
0.7864 | Intermediate Similarity | NPC477175 |
0.7861 | Intermediate Similarity | NPC285469 |
0.7847 | Intermediate Similarity | NPC478028 |
0.7846 | Intermediate Similarity | NPC323927 |
0.7845 | Intermediate Similarity | NPC284775 |
0.7841 | Intermediate Similarity | NPC271734 |
0.7831 | Intermediate Similarity | NPC110126 |
0.7826 | Intermediate Similarity | NPC474877 |
0.7826 | Intermediate Similarity | NPC475969 |
0.7826 | Intermediate Similarity | NPC475859 |
0.7826 | Intermediate Similarity | NPC472294 |
0.7826 | Intermediate Similarity | NPC477177 |
0.7824 | Intermediate Similarity | NPC471957 |
0.7824 | Intermediate Similarity | NPC476073 |
0.7818 | Intermediate Similarity | NPC84911 |
0.7812 | Intermediate Similarity | NPC252338 |
0.7807 | Intermediate Similarity | NPC95783 |
0.7802 | Intermediate Similarity | NPC215795 |
0.7802 | Intermediate Similarity | NPC176199 |
0.7795 | Intermediate Similarity | NPC475288 |
0.7788 | Intermediate Similarity | NPC165743 |
0.7788 | Intermediate Similarity | NPC89987 |
0.7784 | Intermediate Similarity | NPC98715 |
0.7778 | Intermediate Similarity | NPC474177 |
0.7778 | Intermediate Similarity | NPC321911 |
0.7773 | Intermediate Similarity | NPC478029 |
0.7772 | Intermediate Similarity | NPC470205 |
0.7772 | Intermediate Similarity | NPC471944 |
0.7772 | Intermediate Similarity | NPC48938 |
0.7771 | Intermediate Similarity | NPC56765 |
0.7771 | Intermediate Similarity | NPC206819 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC94752 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.8913 | High Similarity | NPD8493 | Clinical (unspecified phase) |
0.884 | High Similarity | NPD7621 | Clinical (unspecified phase) |
0.8827 | High Similarity | NPD7618 | Phase 3 |
0.8827 | High Similarity | NPD7619 | Phase 3 |
0.8793 | High Similarity | NPD5728 | Clinical (unspecified phase) |
0.8602 | High Similarity | NPD8272 | Phase 2 |
0.8596 | High Similarity | NPD3961 | Discontinued |
0.8511 | High Similarity | NPD6838 | Clinical (unspecified phase) |
0.8488 | Intermediate Similarity | NPD4184 | Clinical (unspecified phase) |
0.8454 | Intermediate Similarity | NPD8405 | Clinical (unspecified phase) |
0.8448 | Intermediate Similarity | NPD482 | Approved |
0.8441 | Intermediate Similarity | NPD7903 | Clinical (unspecified phase) |
0.8429 | Intermediate Similarity | NPD7470 | Discontinued |
0.8415 | Intermediate Similarity | NPD7944 | Discontinued |
0.84 | Intermediate Similarity | NPD749 | Clinical (unspecified phase) |
0.8385 | Intermediate Similarity | NPD8093 | Discontinued |
0.8385 | Intermediate Similarity | NPD7594 | Clinical (unspecified phase) |
0.8377 | Intermediate Similarity | NPD7998 | Clinical (unspecified phase) |
0.8371 | Intermediate Similarity | NPD2094 | Phase 2 |
0.8371 | Intermediate Similarity | NPD2092 | Phase 2 |
0.8371 | Intermediate Similarity | NPD2095 | Phase 2 |
0.8362 | Intermediate Similarity | NPD6595 | Phase 3 |
0.8343 | Intermediate Similarity | NPD8110 | Clinical (unspecified phase) |
0.8333 | Intermediate Similarity | NPD8013 | Clinical (unspecified phase) |
0.8324 | Intermediate Similarity | NPD2091 | Phase 2 |
0.8324 | Intermediate Similarity | NPD2096 | Phase 2 |
0.8308 | Intermediate Similarity | NPD8406 | Clinical (unspecified phase) |
0.8295 | Intermediate Similarity | NPD4075 | Phase 2 |
0.8286 | Intermediate Similarity | NPD750 | Phase 2 |
0.8239 | Intermediate Similarity | NPD5065 | Approved |
0.8226 | Intermediate Similarity | NPD6664 | Approved |
0.8187 | Intermediate Similarity | NPD7809 | Clinical (unspecified phase) |
0.8187 | Intermediate Similarity | NPD3486 | Clinical (unspecified phase) |
0.8187 | Intermediate Similarity | NPD6141 | Clinical (unspecified phase) |
0.8187 | Intermediate Similarity | NPD8431 | Approved |
0.8177 | Intermediate Similarity | NPD6610 | Clinical (unspecified phase) |
0.8154 | Intermediate Similarity | NPD8094 | Discontinued |
0.8146 | Intermediate Similarity | NPD6203 | Clinical (unspecified phase) |
0.8119 | Intermediate Similarity | NPD7731 | Approved |
0.8119 | Intermediate Similarity | NPD7730 | Approved |
0.8114 | Intermediate Similarity | NPD5069 | Clinical (unspecified phase) |
0.8109 | Intermediate Similarity | NPD7271 | Approved |
0.8101 | Intermediate Similarity | NPD4076 | Approved |
0.8101 | Intermediate Similarity | NPD4079 | Approved |
0.8073 | Intermediate Similarity | NPD7958 | Clinical (unspecified phase) |
0.8073 | Intermediate Similarity | NPD7957 | Phase 1 |
0.8069 | Intermediate Similarity | NPD7603 | Discontinued |
0.8063 | Intermediate Similarity | NPD8072 | Approved |
0.8045 | Intermediate Similarity | NPD3506 | Approved |
0.8045 | Intermediate Similarity | NPD3505 | Approved |
0.8045 | Intermediate Similarity | NPD2144 | Approved |
0.8039 | Intermediate Similarity | NPD7824 | Approved |
0.8033 | Intermediate Similarity | NPD4426 | Clinical (unspecified phase) |
0.8031 | Intermediate Similarity | NPD8322 | Phase 2 |
0.802 | Intermediate Similarity | NPD7970 | Approved |
0.802 | Intermediate Similarity | NPD7971 | Clinical (unspecified phase) |
0.8011 | Intermediate Similarity | NPD3038 | Discontinued |
0.801 | Intermediate Similarity | NPD7952 | Approved |
0.801 | Intermediate Similarity | NPD7789 | Approved |
0.801 | Intermediate Similarity | NPD7791 | Approved |
0.801 | Intermediate Similarity | NPD7950 | Approved |
0.801 | Intermediate Similarity | NPD7953 | Approved |
0.801 | Intermediate Similarity | NPD7790 | Approved |
0.801 | Intermediate Similarity | NPD7951 | Approved |
0.801 | Intermediate Similarity | NPD8073 | Approved |
0.799 | Intermediate Similarity | NPD7780 | Approved |
0.799 | Intermediate Similarity | NPD7781 | Approved |
0.7944 | Intermediate Similarity | NPD4181 | Approved |
0.794 | Intermediate Similarity | NPD7823 | Clinical (unspecified phase) |
0.7939 | Intermediate Similarity | NPD786 | Approved |
0.7935 | Intermediate Similarity | NPD6217 | Discontinued |
0.7933 | Intermediate Similarity | NPD4128 | Approved |
0.7927 | Intermediate Similarity | NPD5426 | Phase 3 |
0.7908 | Intermediate Similarity | NPD7825 | Clinical (unspecified phase) |
0.7892 | Intermediate Similarity | NPD7711 | Discontinued |
0.7882 | Intermediate Similarity | NPD4374 | Clinical (unspecified phase) |
0.7861 | Intermediate Similarity | NPD6180 | Clinical (unspecified phase) |
0.7844 | Intermediate Similarity | NPD1722 | Approved |
0.7841 | Intermediate Similarity | NPD3583 | Phase 2 |
0.7806 | Intermediate Similarity | NPD7947 | Clinical (unspecified phase) |
0.7797 | Intermediate Similarity | NPD5744 | Clinical (unspecified phase) |
0.7795 | Intermediate Similarity | NPD4862 | Clinical (unspecified phase) |
0.7789 | Intermediate Similarity | NPD6449 | Clinical (unspecified phase) |
0.7789 | Intermediate Similarity | NPD7818 | Clinical (unspecified phase) |
0.7784 | Intermediate Similarity | NPD6771 | Discontinued |
0.7778 | Intermediate Similarity | NPD3100 | Discontinued |
0.7772 | Intermediate Similarity | NPD7817 | Phase 1 |
0.7758 | Intermediate Similarity | NPD198 | Clinical (unspecified phase) |
0.775 | Intermediate Similarity | NPD8112 | Clinical (unspecified phase) |
0.7749 | Intermediate Similarity | NPD7948 | Phase 1 |
0.7744 | Intermediate Similarity | NPD8114 | Approved |
0.7744 | Intermediate Similarity | NPD7712 | Clinical (unspecified phase) |
0.7744 | Intermediate Similarity | NPD8115 | Approved |
0.7742 | Intermediate Similarity | NPD7026 | Phase 2 |
0.7742 | Intermediate Similarity | NPD5820 | Clinical (unspecified phase) |
0.774 | Intermediate Similarity | NPD3323 | Discontinued |
0.7733 | Intermediate Similarity | NPD4463 | Approved |
0.7733 | Intermediate Similarity | NPD4462 | Approved |
0.773 | Intermediate Similarity | NPD7564 | Discontinued |
0.773 | Intermediate Similarity | NPD6178 | Phase 3 |
0.773 | Intermediate Similarity | NPD3607 | Clinical (unspecified phase) |
0.7725 | Intermediate Similarity | NPD6665 | Discontinued |
0.7709 | Intermediate Similarity | NPD4779 | Clinical (unspecified phase) |
0.768 | Intermediate Similarity | NPD5017 | Discontinued |
0.7663 | Intermediate Similarity | NPD8464 | Clinical (unspecified phase) |
0.7653 | Intermediate Similarity | NPD5901 | Discontinued |
0.7632 | Intermediate Similarity | NPD4922 | Phase 2 |
0.7629 | Intermediate Similarity | NPD8248 | Clinical (unspecified phase) |
0.7611 | Intermediate Similarity | NPD4638 | Approved |
0.7611 | Intermediate Similarity | NPD4640 | Approved |
0.7611 | Intermediate Similarity | NPD4639 | Approved |
0.7609 | Intermediate Similarity | NPD8386 | Phase 2 |
0.7596 | Intermediate Similarity | NPD6044 | Discontinued |
0.7596 | Intermediate Similarity | NPD6375 | Clinical (unspecified phase) |
0.759 | Intermediate Similarity | NPD7727 | Phase 2 |
0.7588 | Intermediate Similarity | NPD4637 | Clinical (unspecified phase) |
0.7579 | Intermediate Similarity | NPD5592 | Clinical (unspecified phase) |
0.7579 | Intermediate Similarity | NPD6630 | Clinical (unspecified phase) |
0.7577 | Intermediate Similarity | NPD7000 | Clinical (unspecified phase) |
0.7577 | Intermediate Similarity | NPD6999 | Discontinued |
0.7568 | Intermediate Similarity | NPD6277 | Clinical (unspecified phase) |
0.7566 | Intermediate Similarity | NPD6965 | Clinical (unspecified phase) |
0.7563 | Intermediate Similarity | NPD6288 | Clinical (unspecified phase) |
0.7548 | Intermediate Similarity | NPD8289 | Discontinued |
0.7543 | Intermediate Similarity | NPD2837 | Discontinued |
0.7538 | Intermediate Similarity | NPD484 | Approved |
0.7529 | Intermediate Similarity | NPD2172 | Phase 1 |
0.7528 | Intermediate Similarity | NPD2511 | Approved |
0.7527 | Intermediate Similarity | NPD5934 | Clinical (unspecified phase) |
0.7524 | Intermediate Similarity | NPD6615 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD2641 | Approved |
0.7514 | Intermediate Similarity | NPD4703 | Approved |
0.7514 | Intermediate Similarity | NPD4326 | Phase 2 |
0.7514 | Intermediate Similarity | NPD2640 | Approved |
0.7514 | Intermediate Similarity | NPD4702 | Approved |
0.75 | Intermediate Similarity | NPD5575 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD8000 | Clinical (unspecified phase) |
0.7487 | Intermediate Similarity | NPD7308 | Discontinued |
0.7475 | Intermediate Similarity | NPD8458 | Clinical (unspecified phase) |
0.7475 | Intermediate Similarity | NPD8169 | Discontinued |
0.7473 | Intermediate Similarity | NPD1326 | Approved |
0.7473 | Intermediate Similarity | NPD1325 | Approved |
0.7471 | Intermediate Similarity | NPD3943 | Clinical (unspecified phase) |
0.745 | Intermediate Similarity | NPD7665 | Phase 2 |
0.745 | Intermediate Similarity | NPD7666 | Phase 3 |
0.7449 | Intermediate Similarity | NPD4601 | Approved |
0.7449 | Intermediate Similarity | NPD4600 | Approved |
0.7448 | Intermediate Similarity | NPD5505 | Discontinued |
0.7446 | Intermediate Similarity | NPD5322 | Clinical (unspecified phase) |
0.7444 | Intermediate Similarity | NPD5140 | Approved |
0.7444 | Intermediate Similarity | NPD5138 | Approved |
0.7438 | Intermediate Similarity | NPD8488 | Clinical (unspecified phase) |
0.7437 | Intermediate Similarity | NPD7001 | Phase 3 |
0.7433 | Intermediate Similarity | NPD3178 | Discontinued |
0.7432 | Intermediate Similarity | NPD3610 | Approved |
0.7432 | Intermediate Similarity | NPD3609 | Approved |
0.743 | Intermediate Similarity | NPD1403 | Approved |
0.743 | Intermediate Similarity | NPD1404 | Approved |
0.743 | Intermediate Similarity | NPD6454 | Clinical (unspecified phase) |
0.7429 | Intermediate Similarity | NPD6165 | Phase 2 |
0.7429 | Intermediate Similarity | NPD6164 | Phase 2 |
0.7424 | Intermediate Similarity | NPD2121 | Clinical (unspecified phase) |
0.7418 | Intermediate Similarity | NPD5021 | Discontinued |
0.7418 | Intermediate Similarity | NPD2185 | Clinical (unspecified phase) |
0.7415 | Intermediate Similarity | NPD8256 | Approved |
0.7415 | Intermediate Similarity | NPD8258 | Clinical (unspecified phase) |
0.7415 | Intermediate Similarity | NPD8257 | Approved |
0.7407 | Intermediate Similarity | NPD5555 | Phase 1 |
0.7394 | Intermediate Similarity | NPD3320 | Approved |
0.7394 | Intermediate Similarity | NPD3318 | Approved |
0.7394 | Intermediate Similarity | NPD3319 | Phase 1 |
0.7391 | Intermediate Similarity | NPD4112 | Clinical (unspecified phase) |
0.7389 | Intermediate Similarity | NPD8026 | Phase 1 |
0.7385 | Intermediate Similarity | NPD2880 | Discontinued |
0.7374 | Intermediate Similarity | NPD6269 | Clinical (unspecified phase) |
0.7374 | Intermediate Similarity | NPD6268 | Phase 1 |
0.7371 | Intermediate Similarity | NPD8641 | Approved |
0.7371 | Intermediate Similarity | NPD7024 | Clinical (unspecified phase) |
0.7368 | Intermediate Similarity | NPD7717 | Approved |
0.7368 | Intermediate Similarity | NPD7716 | Approved |
0.7363 | Intermediate Similarity | NPD2639 | Approved |
0.7363 | Intermediate Similarity | NPD2642 | Approved |
0.7358 | Intermediate Similarity | NPD3404 | Approved |
0.7356 | Intermediate Similarity | NPD7469 | Discontinued |
0.7354 | Intermediate Similarity | NPD7482 | Phase 2 |
0.7354 | Intermediate Similarity | NPD7483 | Phase 2 |
0.7347 | Intermediate Similarity | NPD7204 | Clinical (unspecified phase) |
0.7341 | Intermediate Similarity | NPD5254 | Discontinued |
0.7336 | Intermediate Similarity | NPD5040 | Clinical (unspecified phase) |
0.7302 | Intermediate Similarity | NPD5105 | Approved |
0.7302 | Intermediate Similarity | NPD5106 | Approved |
0.7287 | Intermediate Similarity | NPD6452 | Discontinued |
0.7286 | Intermediate Similarity | NPD5721 | Clinical (unspecified phase) |
0.7286 | Intermediate Similarity | NPD7187 | Phase 2 |
0.7283 | Intermediate Similarity | NPD3717 | Discontinued |
0.7277 | Intermediate Similarity | NPD2510 | Approved |
0.7277 | Intermediate Similarity | NPD2509 | Approved |
0.7277 | Intermediate Similarity | NPD5809 | Phase 3 |
0.7273 | Intermediate Similarity | NPD8122 | Approved |
0.7273 | Intermediate Similarity | NPD8123 | Approved |
PubChem CID   | 24900169 |
ChEMBL   | CHEMBL486287 |
ZINC   |
Molecular Weight:   | 448.28 |
ALogP:   | -0.7329 |
MLogP:   | 3.77 |
XLogP:   | 6.767 |
# Rotatable Bonds:   | 17 |
Polar Surface Area:   | 80.72 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 3 |
# Heavy Atoms:   | 33 |