Natural Product ID:   | NPC22883 |
Common Name:   | Cyanopeptolin S |
IUPAC Name:   | [(2R)-3-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulfate |
Synonyms:   | Cyanopeptolin S |
Molecular Formula:   | C40H63N9O14S |
Standard InCHIKey:   | LQLBUPVHKUILGJ-LKAQEJCWSA-N |
Standard InCHI:   | InChI=1S/C40H63N9O14S/c1-7-21(3)30-39(58)63-23(5)31(47-35(54)28(50)20-62-64(59,60)61)36(55)44-25(15-12-18-43-40(41)42)33(52)45-26-16-17-29(51)49(37(26)56)32(22(4)8-2)38(57)48(6)27(34(53)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-51H,7-8,12,15-20H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)/t21-,22-,23+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1 |
Canonical SMILES:   | CC[C@@H]([C@@H]1N=C(O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@H](CC)C)N2[C@H](O)CC[C@@H](C2=O)N=C([C@@H](N=C([C@H]([C@H](OC1=O)C)N=C([C@@H](COS(=O)(=O)O)O)O)O)CCCNC(=N)N)O)C |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0000332 ; |
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO32761 | microcystis sp. | Species | Microcystaceae | Bacteria | Germany |
PMID[18163584] |
||
NPO32761 | microcystis sp. | Species | Microcystaceae | Bacteria | Israeli fishpond water bloom |
PMID[20028081] |
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 NPC22883 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 |
---|---|---|
1.0 | High Similarity | NPC217804 |
1.0 | High Similarity | NPC5719 |
1.0 | High Similarity | NPC210377 |
0.9868 | High Similarity | NPC63040 |
0.9801 | High Similarity | NPC15068 |
0.9732 | High Similarity | NPC62104 |
0.9732 | High Similarity | NPC1390 |
0.9156 | High Similarity | NPC471527 |
0.8922 | High Similarity | NPC102959 |
0.8869 | High Similarity | NPC60516 |
0.8713 | High Similarity | NPC302715 |
0.8658 | High Similarity | NPC239762 |
0.8658 | High Similarity | NPC163392 |
0.8526 | High Similarity | NPC473341 |
0.8452 | Intermediate Similarity | NPC473404 |
0.8447 | Intermediate Similarity | NPC471051 |
0.8447 | Intermediate Similarity | NPC471052 |
0.8447 | Intermediate Similarity | NPC471053 |
0.8333 | Intermediate Similarity | NPC2501 |
0.8291 | Intermediate Similarity | NPC122590 |
0.8228 | Intermediate Similarity | NPC300443 |
0.8142 | Intermediate Similarity | NPC220060 |
0.8129 | Intermediate Similarity | NPC52748 |
0.8114 | Intermediate Similarity | NPC61332 |
0.8114 | Intermediate Similarity | NPC240130 |
0.8086 | Intermediate Similarity | NPC297145 |
0.8086 | Intermediate Similarity | NPC197743 |
0.8011 | Intermediate Similarity | NPC469443 |
0.8 | Intermediate Similarity | NPC469444 |
0.7976 | Intermediate Similarity | NPC46009 |
0.7975 | Intermediate Similarity | NPC324850 |
0.7968 | Intermediate Similarity | NPC469442 |
0.7968 | Intermediate Similarity | NPC277306 |
0.7968 | Intermediate Similarity | NPC469445 |
0.7962 | Intermediate Similarity | NPC315266 |
0.7939 | Intermediate Similarity | NPC73655 |
0.7927 | Intermediate Similarity | NPC24617 |
0.7925 | Intermediate Similarity | NPC471820 |
0.7925 | Intermediate Similarity | NPC471821 |
0.7922 | Intermediate Similarity | NPC68865 |
0.7922 | Intermediate Similarity | NPC127741 |
0.7912 | Intermediate Similarity | NPC477551 |
0.7901 | Intermediate Similarity | NPC477552 |
0.7901 | Intermediate Similarity | NPC477550 |
0.7895 | Intermediate Similarity | NPC50016 |
0.7884 | Intermediate Similarity | NPC25539 |
0.7882 | Intermediate Similarity | NPC273755 |
0.7879 | Intermediate Similarity | NPC114806 |
0.7871 | Intermediate Similarity | NPC132636 |
0.7834 | Intermediate Similarity | NPC176226 |
0.7826 | Intermediate Similarity | NPC475168 |
0.7826 | Intermediate Similarity | NPC7817 |
0.7821 | Intermediate Similarity | NPC476259 |
0.7816 | Intermediate Similarity | NPC476321 |
0.7803 | Intermediate Similarity | NPC45037 |
0.7785 | Intermediate Similarity | NPC476978 |
0.7771 | Intermediate Similarity | NPC168113 |
0.7771 | Intermediate Similarity | NPC471526 |
0.7765 | Intermediate Similarity | NPC475123 |
0.7765 | Intermediate Similarity | NPC475204 |
0.7754 | Intermediate Similarity | NPC219350 |
0.7754 | Intermediate Similarity | NPC194699 |
0.7742 | Intermediate Similarity | NPC314835 |
0.7727 | Intermediate Similarity | NPC471050 |
0.7727 | Intermediate Similarity | NPC471049 |
0.7727 | Intermediate Similarity | NPC471048 |
0.7722 | Intermediate Similarity | NPC197682 |
0.7707 | Intermediate Similarity | NPC307357 |
0.7707 | Intermediate Similarity | NPC268841 |
0.7707 | Intermediate Similarity | NPC46098 |
0.7688 | Intermediate Similarity | NPC262077 |
0.7683 | Intermediate Similarity | NPC470902 |
0.7674 | Intermediate Similarity | NPC306804 |
0.764 | Intermediate Similarity | NPC135121 |
0.763 | Intermediate Similarity | NPC473354 |
0.7625 | Intermediate Similarity | NPC5620 |
0.7625 | Intermediate Similarity | NPC477217 |
0.7625 | Intermediate Similarity | NPC201244 |
0.7611 | Intermediate Similarity | NPC473305 |
0.7611 | Intermediate Similarity | NPC163961 |
0.761 | Intermediate Similarity | NPC161069 |
0.758 | Intermediate Similarity | NPC471265 |
0.758 | Intermediate Similarity | NPC471264 |
0.7578 | Intermediate Similarity | NPC314114 |
0.7558 | Intermediate Similarity | NPC274198 |
0.7558 | Intermediate Similarity | NPC198254 |
0.7544 | Intermediate Similarity | NPC107938 |
0.7544 | Intermediate Similarity | NPC294516 |
0.7529 | Intermediate Similarity | NPC477462 |
0.7527 | Intermediate Similarity | NPC473450 |
0.7516 | Intermediate Similarity | NPC319766 |
0.7516 | Intermediate Similarity | NPC209509 |
0.7514 | Intermediate Similarity | NPC230611 |
0.75 | Intermediate Similarity | NPC77905 |
0.75 | Intermediate Similarity | NPC194671 |
0.75 | Intermediate Similarity | NPC94862 |
0.75 | Intermediate Similarity | NPC269750 |
0.7484 | Intermediate Similarity | NPC130309 |
0.7473 | Intermediate Similarity | NPC473407 |
0.7473 | Intermediate Similarity | NPC473378 |
0.7471 | Intermediate Similarity | NPC137627 |
0.7469 | Intermediate Similarity | NPC314358 |
0.7457 | Intermediate Similarity | NPC40234 |
0.7457 | Intermediate Similarity | NPC276506 |
0.7455 | Intermediate Similarity | NPC162104 |
0.7439 | Intermediate Similarity | NPC129666 |
0.7438 | Intermediate Similarity | NPC263493 |
0.7438 | Intermediate Similarity | NPC269398 |
0.743 | Intermediate Similarity | NPC294951 |
0.7429 | Intermediate Similarity | NPC471165 |
0.7429 | Intermediate Similarity | NPC26108 |
0.7429 | Intermediate Similarity | NPC473402 |
0.7429 | Intermediate Similarity | NPC279871 |
0.7423 | Intermediate Similarity | NPC311658 |
0.7423 | Intermediate Similarity | NPC138775 |
0.7421 | Intermediate Similarity | NPC470884 |
0.7421 | Intermediate Similarity | NPC98424 |
0.7421 | Intermediate Similarity | NPC476133 |
0.7421 | Intermediate Similarity | NPC178662 |
0.7421 | Intermediate Similarity | NPC92784 |
0.7407 | Intermediate Similarity | NPC313867 |
0.7407 | Intermediate Similarity | NPC316008 |
0.7399 | Intermediate Similarity | NPC280022 |
0.7399 | Intermediate Similarity | NPC473000 |
0.7391 | Intermediate Similarity | NPC139326 |
0.7386 | Intermediate Similarity | NPC196243 |
0.7368 | Intermediate Similarity | NPC46427 |
0.7368 | Intermediate Similarity | NPC6975 |
0.7351 | Intermediate Similarity | NPC71684 |
0.7351 | Intermediate Similarity | NPC477638 |
0.7351 | Intermediate Similarity | NPC477632 |
0.7346 | Intermediate Similarity | NPC315283 |
0.7346 | Intermediate Similarity | NPC314388 |
0.7342 | Intermediate Similarity | NPC141050 |
0.733 | Intermediate Similarity | NPC476227 |
0.733 | Intermediate Similarity | NPC159767 |
0.733 | Intermediate Similarity | NPC155506 |
0.7329 | Intermediate Similarity | NPC469426 |
0.7329 | Intermediate Similarity | NPC469427 |
0.7317 | Intermediate Similarity | NPC329761 |
0.7317 | Intermediate Similarity | NPC225648 |
0.7317 | Intermediate Similarity | NPC145113 |
0.7303 | Intermediate Similarity | NPC252878 |
0.7283 | Intermediate Similarity | NPC248822 |
0.7278 | Intermediate Similarity | NPC287401 |
0.7273 | Intermediate Similarity | NPC105717 |
0.7273 | Intermediate Similarity | NPC248670 |
0.7267 | Intermediate Similarity | NPC237420 |
0.7263 | Intermediate Similarity | NPC153554 |
0.7251 | Intermediate Similarity | NPC469901 |
0.7244 | Intermediate Similarity | NPC111428 |
0.7243 | Intermediate Similarity | NPC477631 |
0.7237 | Intermediate Similarity | NPC202521 |
0.7228 | Intermediate Similarity | NPC477636 |
0.7226 | Intermediate Similarity | NPC477937 |
0.7225 | Intermediate Similarity | NPC63931 |
0.7207 | Intermediate Similarity | NPC97526 |
0.7207 | Intermediate Similarity | NPC119652 |
0.7202 | Intermediate Similarity | NPC286551 |
0.72 | Intermediate Similarity | NPC129486 |
0.7193 | Intermediate Similarity | NPC469898 |
0.7175 | Intermediate Similarity | NPC475532 |
0.7171 | Intermediate Similarity | NPC476990 |
0.7169 | Intermediate Similarity | NPC240848 |
0.7167 | Intermediate Similarity | NPC472999 |
0.7152 | Intermediate Similarity | NPC314992 |
0.7152 | Intermediate Similarity | NPC470546 |
0.7151 | Intermediate Similarity | NPC469243 |
0.7135 | Intermediate Similarity | NPC17698 |
0.7135 | Intermediate Similarity | NPC165285 |
0.7118 | Intermediate Similarity | NPC473580 |
0.7118 | Intermediate Similarity | NPC469903 |
0.7112 | Intermediate Similarity | NPC65714 |
0.7107 | Intermediate Similarity | NPC246079 |
0.7095 | Intermediate Similarity | NPC469900 |
0.7086 | Intermediate Similarity | NPC169328 |
0.7086 | Intermediate Similarity | NPC470545 |
0.7059 | Intermediate Similarity | NPC477061 |
0.7059 | Intermediate Similarity | NPC45777 |
0.7052 | Intermediate Similarity | NPC469902 |
0.7052 | Intermediate Similarity | NPC475544 |
0.7051 | Intermediate Similarity | NPC101719 |
0.7044 | Intermediate Similarity | NPC255447 |
0.7039 | Intermediate Similarity | NPC310467 |
0.7037 | Intermediate Similarity | NPC473371 |
0.7037 | Intermediate Similarity | NPC477639 |
0.7032 | Intermediate Similarity | NPC35996 |
0.7029 | Intermediate Similarity | NPC223207 |
0.702 | Intermediate Similarity | NPC2265 |
0.702 | Intermediate Similarity | NPC470544 |
0.7 | Intermediate Similarity | NPC471592 |
0.699 | Remote Similarity | NPC478005 |
0.6989 | Remote Similarity | NPC304074 |
0.6989 | Remote Similarity | NPC290755 |
0.6989 | Remote Similarity | NPC471771 |
0.6988 | Remote Similarity | NPC322878 |
0.6987 | Remote Similarity | NPC222466 |
0.6984 | Remote Similarity | NPC80514 |
0.6981 | Remote Similarity | NPC300315 |
0.6978 | Remote Similarity | NPC170302 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC22883 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 |
---|---|---|---|
0.8301 | Intermediate Similarity | NPD8076 | Discontinued |
0.7871 | Intermediate Similarity | NPD6901 | Phase 3 |
0.7692 | Intermediate Similarity | NPD4782 | Clinical (unspecified phase) |
0.7673 | Intermediate Similarity | NPD5341 | Clinical (unspecified phase) |
0.7593 | Intermediate Similarity | NPD8290 | Clinical (unspecified phase) |
0.7485 | Intermediate Similarity | NPD8303 | Discontinued |
0.7452 | Intermediate Similarity | NPD4791 | Clinical (unspecified phase) |
0.7358 | Intermediate Similarity | NPD8173 | Phase 2 |
0.7358 | Intermediate Similarity | NPD6073 | Approved |
0.7358 | Intermediate Similarity | NPD8172 | Phase 2 |
0.7355 | Intermediate Similarity | NPD4177 | Approved |
0.7355 | Intermediate Similarity | NPD4175 | Approved |
0.7349 | Intermediate Similarity | NPD6078 | Clinical (unspecified phase) |
0.7342 | Intermediate Similarity | NPD5296 | Approved |
0.7333 | Intermediate Similarity | NPD6088 | Approved |
0.7325 | Intermediate Similarity | NPD3632 | Clinical (unspecified phase) |
0.7317 | Intermediate Similarity | NPD8323 | Discontinued |
0.7262 | Intermediate Similarity | NPD6670 | Clinical (unspecified phase) |
0.725 | Intermediate Similarity | NPD5725 | Approved |
0.7239 | Intermediate Similarity | NPD6681 | Discovery |
0.7235 | Intermediate Similarity | NPD7749 | Clinical (unspecified phase) |
0.7205 | Intermediate Similarity | NPD6852 | Discontinued |
0.7179 | Intermediate Similarity | NPD5339 | Clinical (unspecified phase) |
0.717 | Intermediate Similarity | NPD5747 | Discontinued |
0.7152 | Intermediate Similarity | NPD2218 | Phase 2 |
0.7152 | Intermediate Similarity | NPD2217 | Approved |
0.7134 | Intermediate Similarity | NPD6119 | Clinical (unspecified phase) |
0.7125 | Intermediate Similarity | NPD4153 | Approved |
0.7099 | Intermediate Similarity | NPD6295 | Approved |
0.7099 | Intermediate Similarity | NPD6294 | Approved |
0.7097 | Intermediate Similarity | NPD4677 | Discontinued |
0.7081 | Intermediate Similarity | NPD4757 | Clinical (unspecified phase) |
0.7063 | Intermediate Similarity | NPD7634 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD7836 | Clinical (unspecified phase) |
0.7055 | Intermediate Similarity | NPD5301 | Clinical (unspecified phase) |
0.7032 | Intermediate Similarity | NPD3071 | Approved |
0.7032 | Intermediate Similarity | NPD3072 | Approved |
0.7032 | Intermediate Similarity | NPD3073 | Approved |
0.7032 | Intermediate Similarity | NPD2584 | Suspended |
0.7019 | Intermediate Similarity | NPD6623 | Phase 3 |
0.7006 | Intermediate Similarity | NPD2585 | Clinical (unspecified phase) |
0.6994 | Remote Similarity | NPD8019 | Approved |
0.6981 | Remote Similarity | NPD5263 | Approved |
0.6977 | Remote Similarity | NPD8417 | Discontinued |
0.6977 | Remote Similarity | NPD7267 | Clinical (unspecified phase) |
0.6968 | Remote Similarity | NPD4762 | Approved |
0.6968 | Remote Similarity | NPD4706 | Clinical (unspecified phase) |
0.6968 | Remote Similarity | NPD4761 | Approved |
0.6962 | Remote Similarity | NPD4151 | Approved |
0.6951 | Remote Similarity | NPD7728 | Clinical (unspecified phase) |
0.6948 | Remote Similarity | NPD7342 | Discontinued |
0.6937 | Remote Similarity | NPD6919 | Clinical (unspecified phase) |
0.6914 | Remote Similarity | NPD6646 | Discontinued |
0.6897 | Remote Similarity | NPD7495 | Discontinued |
0.6886 | Remote Similarity | NPD5264 | Approved |
0.6886 | Remote Similarity | NPD5265 | Approved |
0.6875 | Remote Similarity | NPD4676 | Approved |
0.6875 | Remote Similarity | NPD7979 | Clinical (unspecified phase) |
0.6871 | Remote Similarity | NPD7113 | Clinical (unspecified phase) |
0.6835 | Remote Similarity | NPD5367 | Discontinued |
0.6813 | Remote Similarity | NPD3040 | Approved |
0.6813 | Remote Similarity | NPD8022 | Clinical (unspecified phase) |
0.681 | Remote Similarity | NPD8416 | Discontinued |
0.6802 | Remote Similarity | NPD7523 | Phase 3 |
0.679 | Remote Similarity | NPD5581 | Approved |
0.678 | Remote Similarity | NPD4564 | Clinical (unspecified phase) |
0.678 | Remote Similarity | NPD4565 | Clinical (unspecified phase) |
0.6774 | Remote Similarity | NPD4504 | Clinical (unspecified phase) |
0.6768 | Remote Similarity | NPD3908 | Approved |
0.6761 | Remote Similarity | NPD4557 | Approved |
0.675 | Remote Similarity | NPD3604 | Clinical (unspecified phase) |
0.6725 | Remote Similarity | NPD6631 | Clinical (unspecified phase) |
0.6725 | Remote Similarity | NPD7892 | Clinical (unspecified phase) |
0.6725 | Remote Similarity | NPD5614 | Approved |
0.6725 | Remote Similarity | NPD5613 | Approved |
0.6722 | Remote Similarity | NPD7485 | Phase 3 |
0.6722 | Remote Similarity | NPD7484 | Phase 3 |
0.6708 | Remote Similarity | NPD3626 | Phase 3 |
0.6707 | Remote Similarity | NPD8265 | Approved |
0.6687 | Remote Similarity | NPD1330 | Phase 2 |
0.6687 | Remote Similarity | NPD1329 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4152 | Approved |
0.6667 | Remote Similarity | NPD8315 | Phase 1 |
0.6667 | Remote Similarity | NPD4125 | Approved |
0.6667 | Remote Similarity | NPD3519 | Discontinued |
0.6649 | Remote Similarity | NPD5775 | Approved |
0.6649 | Remote Similarity | NPD5774 | Approved |
0.6648 | Remote Similarity | NPD7118 | Clinical (unspecified phase) |
0.6647 | Remote Similarity | NPD5298 | Clinical (unspecified phase) |
0.6646 | Remote Similarity | NPD3608 | Clinical (unspecified phase) |
0.6646 | Remote Similarity | NPD3561 | Clinical (unspecified phase) |
0.6626 | Remote Similarity | NPD4794 | Discontinued |
0.6626 | Remote Similarity | NPD4738 | Phase 2 |
0.6625 | Remote Similarity | NPD3125 | Approved |
0.6606 | Remote Similarity | NPD5323 | Approved |
0.659 | Remote Similarity | NPD4185 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD6860 | Clinical (unspecified phase) |
0.6587 | Remote Similarity | NPD4126 | Approved |
0.6587 | Remote Similarity | NPD8154 | Clinical (unspecified phase) |
0.6571 | Remote Similarity | NPD4647 | Approved |
0.6571 | Remote Similarity | NPD4648 | Approved |
0.6571 | Remote Similarity | NPD4646 | Approved |
0.6566 | Remote Similarity | NPD8643 | Discontinued |
0.6552 | Remote Similarity | NPD7613 | Discontinued |
0.6517 | Remote Similarity | NPD4517 | Clinical (unspecified phase) |
0.6516 | Remote Similarity | NPD1348 | Approved |
0.6516 | Remote Similarity | NPD7508 | Discontinued |
0.6503 | Remote Similarity | NPD7828 | Discontinued |
0.6503 | Remote Similarity | NPD7608 | Discontinued |
0.6488 | Remote Similarity | NPD4214 | Discontinued |
0.6486 | Remote Similarity | NPD5200 | Clinical (unspecified phase) |
0.6485 | Remote Similarity | NPD5299 | Approved |
0.6481 | Remote Similarity | NPD3606 | Clinical (unspecified phase) |
0.648 | Remote Similarity | NPD4567 | Approved |
0.648 | Remote Similarity | NPD4566 | Approved |
0.6473 | Remote Similarity | NPD8271 | Discontinued |
0.6471 | Remote Similarity | NPD2088 | Approved |
0.6471 | Remote Similarity | NPD2087 | Approved |
0.6471 | Remote Similarity | NPD7720 | Phase 2 |
0.6463 | Remote Similarity | NPD6359 | Clinical (unspecified phase) |
0.6461 | Remote Similarity | NPD7105 | Phase 1 |
0.6457 | Remote Similarity | NPD5229 | Approved |
0.6457 | Remote Similarity | NPD5230 | Approved |
0.6457 | Remote Similarity | NPD6689 | Clinical (unspecified phase) |
0.645 | Remote Similarity | NPD6864 | Phase 2 |
0.645 | Remote Similarity | NPD6865 | Phase 2 |
0.6442 | Remote Similarity | NPD3588 | Discontinued |
0.6437 | Remote Similarity | NPD3988 | Approved |
0.6437 | Remote Similarity | NPD3987 | Approved |
0.6433 | Remote Similarity | NPD7522 | Discontinued |
0.6432 | Remote Similarity | NPD7973 | Discontinued |
0.6432 | Remote Similarity | NPD8124 | Phase 3 |
0.6432 | Remote Similarity | NPD8126 | Clinical (unspecified phase) |
0.6416 | Remote Similarity | NPD6552 | Clinical (unspecified phase) |
0.6409 | Remote Similarity | NPD8351 | Phase 2 |
0.6407 | Remote Similarity | NPD5272 | Discontinued |
0.6404 | Remote Similarity | NPD2891 | Approved |
0.64 | Remote Similarity | NPD8162 | Phase 2 |
0.64 | Remote Similarity | NPD5348 | Clinical (unspecified phase) |
0.64 | Remote Similarity | NPD8163 | Clinical (unspecified phase) |
0.64 | Remote Similarity | NPD5941 | Approved |
0.64 | Remote Similarity | NPD5942 | Approved |
0.6387 | Remote Similarity | NPD5946 | Clinical (unspecified phase) |
0.6386 | Remote Similarity | NPD7908 | Discontinued |
0.638 | Remote Similarity | NPD3029 | Clinical (unspecified phase) |
0.6374 | Remote Similarity | NPD7978 | Discontinued |
0.6364 | Remote Similarity | NPD5638 | Approved |
0.6359 | Remote Similarity | NPD6839 | Clinical (unspecified phase) |
0.6358 | Remote Similarity | NPD1967 | Approved |
0.6358 | Remote Similarity | NPD1968 | Approved |
0.6358 | Remote Similarity | NPD6676 | Phase 2 |
0.6354 | Remote Similarity | NPD7080 | Clinical (unspecified phase) |
0.6353 | Remote Similarity | NPD4158 | Clinical (unspecified phase) |
0.6348 | Remote Similarity | NPD7744 | Clinical (unspecified phase) |
0.6344 | Remote Similarity | NPD7964 | Clinical (unspecified phase) |
0.6344 | Remote Similarity | NPD7965 | Phase 2 |
0.633 | Remote Similarity | NPD5681 | Clinical (unspecified phase) |
0.6325 | Remote Similarity | NPD3136 | Phase 2 |
0.6321 | Remote Similarity | NPD6089 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD7512 | Approved |
0.6316 | Remote Similarity | NPD7511 | Approved |
0.6313 | Remote Similarity | NPD8119 | Discontinued |
0.6308 | Remote Similarity | NPD8075 | Discontinued |
0.6302 | Remote Similarity | NPD6851 | Approved |
0.6302 | Remote Similarity | NPD6853 | Approved |
0.6287 | Remote Similarity | NPD2078 | Clinical (unspecified phase) |
0.6286 | Remote Similarity | NPD6609 | Clinical (unspecified phase) |
0.6284 | Remote Similarity | NPD8031 | Discontinued |
0.6279 | Remote Similarity | NPD2022 | Approved |
0.6277 | Remote Similarity | NPD4091 | Approved |
0.6273 | Remote Similarity | NPD2956 | Clinical (unspecified phase) |
0.627 | Remote Similarity | NPD7890 | Discontinued |
0.627 | Remote Similarity | NPD6304 | Approved |
0.627 | Remote Similarity | NPD6303 | Approved |
0.6265 | Remote Similarity | NPD2613 | Approved |
0.6264 | Remote Similarity | NPD7600 | Phase 2 |
0.6257 | Remote Similarity | NPD2603 | Clinical (unspecified phase) |
0.6257 | Remote Similarity | NPD3480 | Approved |
0.6256 | Remote Similarity | NPD8169 | Discontinued |
0.6256 | Remote Similarity | NPD7617 | Discontinued |
0.625 | Remote Similarity | NPD3090 | Approved |
0.625 | Remote Similarity | NPD3614 | Approved |
0.625 | Remote Similarity | NPD3616 | Approved |
0.625 | Remote Similarity | NPD3615 | Approved |
0.625 | Remote Similarity | NPD2566 | Approved |
0.625 | Remote Similarity | NPD4746 | Phase 3 |
0.625 | Remote Similarity | NPD2014 | Approved |
0.625 | Remote Similarity | NPD2574 | Discontinued |
0.625 | Remote Similarity | NPD2571 | Approved |
0.625 | Remote Similarity | NPD3087 | Approved |
0.625 | Remote Similarity | NPD2572 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD2570 | Approved |
0.625 | Remote Similarity | NPD3089 | Approved |
0.625 | Remote Similarity | NPD3088 | Approved |
0.625 | Remote Similarity | NPD4745 | Approved |
0.625 | Remote Similarity | NPD2573 | Approved |
0.625 | Remote Similarity | NPD2013 | Approved |
0.625 | Remote Similarity | NPD2016 | Approved |
0.625 | Remote Similarity | NPD5665 | Clinical (unspecified phase) |
0.6243 | Remote Similarity | NPD4092 | Approved |
PubChem CID   | 46881045 |
ChEMBL   | CHEMBL1076838 |
ZINC   |
Molecular Weight:   | 925.42 |
ALogP:   | -5.7236 |
MLogP:   | 3.22 |
XLogP:   | 1.481 |
# Rotatable Bonds:   | 30 |
Polar Surface Area:   | 371.62 |
# H-Bond Aceptor:   | 23 |
# H-Bond Donor:   | 10 |
# Rings:   | 3 |
# Heavy Atoms:   | 64 |