Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO15947 | Penicillium glabrum | Species | Aspergillaceae | Eukaryota | UNPD* | |||
NPO28625 | Xestospongia deweerdtae | Species | Petrosiidae | Eukaryota | UNPD* | |||
NPO28604 | Stachys bombycina | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO8749 | Darlingia ferruginea | Species | Proteaceae | Eukaryota | UNPD* | |||
NPO28488 | Hunteria congolana | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | Root | DOI[10.1021/np50075a009] | ||
NPO6792 | Hedysarum polybotrys | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO28381 | Usnea pectinata | Species | Parmeliaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4352 | Organism | Duck hepatitis B virus | Duck hepatitis B virus | Inhibition | = | 64 | % | 24549242 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Inhibition | = | 23.3 | % | 24549242 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Inhibition | = | 31.8 | % | 24549242 |
NPT2 | Others | Unspecified | Kd | = | 0.126 | nM | 24974349 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 100000 | nM | 24974349 |
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 NPC142264 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 | NPC476510 |
0.9889 | High Similarity | NPC233649 |
0.9889 | High Similarity | NPC470028 |
0.9775 | High Similarity | NPC175 |
0.9775 | High Similarity | NPC45959 |
0.9775 | High Similarity | NPC252253 |
0.967 | High Similarity | NPC475207 |
0.9667 | High Similarity | NPC473067 |
0.9667 | High Similarity | NPC473065 |
0.9667 | High Similarity | NPC473064 |
0.9663 | High Similarity | NPC473726 |
0.9663 | High Similarity | NPC144790 |
0.9663 | High Similarity | NPC149400 |
0.9663 | High Similarity | NPC88962 |
0.957 | High Similarity | NPC472081 |
0.957 | High Similarity | NPC476512 |
0.957 | High Similarity | NPC108227 |
0.956 | High Similarity | NPC139271 |
0.956 | High Similarity | NPC304011 |
0.9556 | High Similarity | NPC179859 |
0.9556 | High Similarity | NPC312678 |
0.9556 | High Similarity | NPC174024 |
0.9556 | High Similarity | NPC291547 |
0.9556 | High Similarity | NPC473774 |
0.9556 | High Similarity | NPC131693 |
0.9556 | High Similarity | NPC475436 |
0.9556 | High Similarity | NPC253268 |
0.9556 | High Similarity | NPC473851 |
0.9556 | High Similarity | NPC24960 |
0.9551 | High Similarity | NPC307167 |
0.9551 | High Similarity | NPC229801 |
0.9551 | High Similarity | NPC210759 |
0.9468 | High Similarity | NPC114700 |
0.9468 | High Similarity | NPC310138 |
0.9468 | High Similarity | NPC470029 |
0.9468 | High Similarity | NPC134967 |
0.9457 | High Similarity | NPC477223 |
0.9457 | High Similarity | NPC477222 |
0.9451 | High Similarity | NPC474399 |
0.9444 | High Similarity | NPC250393 |
0.9444 | High Similarity | NPC249204 |
0.9444 | High Similarity | NPC297348 |
0.9444 | High Similarity | NPC167644 |
0.9444 | High Similarity | NPC234352 |
0.9444 | High Similarity | NPC477547 |
0.9444 | High Similarity | NPC325828 |
0.9444 | High Similarity | NPC48339 |
0.9444 | High Similarity | NPC177834 |
0.9444 | High Similarity | NPC477451 |
0.9444 | High Similarity | NPC141769 |
0.9444 | High Similarity | NPC311246 |
0.9438 | High Similarity | NPC473542 |
0.9438 | High Similarity | NPC65550 |
0.9368 | High Similarity | NPC476837 |
0.9368 | High Similarity | NPC139181 |
0.9368 | High Similarity | NPC97260 |
0.9348 | High Similarity | NPC121453 |
0.9341 | High Similarity | NPC264101 |
0.9341 | High Similarity | NPC471464 |
0.9341 | High Similarity | NPC30687 |
0.9341 | High Similarity | NPC217205 |
0.9341 | High Similarity | NPC291203 |
0.9341 | High Similarity | NPC294686 |
0.9341 | High Similarity | NPC477224 |
0.9341 | High Similarity | NPC222731 |
0.9341 | High Similarity | NPC3538 |
0.9341 | High Similarity | NPC309866 |
0.9341 | High Similarity | NPC305418 |
0.9341 | High Similarity | NPC113500 |
0.9333 | High Similarity | NPC204881 |
0.9333 | High Similarity | NPC5632 |
0.9333 | High Similarity | NPC473830 |
0.9333 | High Similarity | NPC149966 |
0.9326 | High Similarity | NPC82955 |
0.9326 | High Similarity | NPC131466 |
0.9247 | High Similarity | NPC307534 |
0.9247 | High Similarity | NPC476112 |
0.9247 | High Similarity | NPC274200 |
0.9239 | High Similarity | NPC473727 |
0.9239 | High Similarity | NPC107962 |
0.9239 | High Similarity | NPC211354 |
0.9239 | High Similarity | NPC475351 |
0.9239 | High Similarity | NPC92196 |
0.9239 | High Similarity | NPC6295 |
0.9239 | High Similarity | NPC206003 |
0.9239 | High Similarity | NPC107188 |
0.9239 | High Similarity | NPC473610 |
0.9239 | High Similarity | NPC19400 |
0.9231 | High Similarity | NPC172838 |
0.9231 | High Similarity | NPC137004 |
0.9222 | High Similarity | NPC279329 |
0.9213 | High Similarity | NPC281004 |
0.9158 | High Similarity | NPC475574 |
0.9158 | High Similarity | NPC476839 |
0.9158 | High Similarity | NPC476838 |
0.9149 | High Similarity | NPC473518 |
0.9149 | High Similarity | NPC473616 |
0.914 | High Similarity | NPC473601 |
0.914 | High Similarity | NPC116756 |
0.914 | High Similarity | NPC97700 |
0.914 | High Similarity | NPC237071 |
0.914 | High Similarity | NPC103616 |
0.914 | High Similarity | NPC475625 |
0.914 | High Similarity | NPC132080 |
0.914 | High Similarity | NPC470865 |
0.914 | High Similarity | NPC470863 |
0.914 | High Similarity | NPC475643 |
0.914 | High Similarity | NPC98018 |
0.914 | High Similarity | NPC203434 |
0.914 | High Similarity | NPC238796 |
0.914 | High Similarity | NPC84111 |
0.914 | High Similarity | NPC284104 |
0.914 | High Similarity | NPC232037 |
0.914 | High Similarity | NPC470864 |
0.914 | High Similarity | NPC30856 |
0.914 | High Similarity | NPC287483 |
0.914 | High Similarity | NPC184617 |
0.914 | High Similarity | NPC195297 |
0.914 | High Similarity | NPC470866 |
0.914 | High Similarity | NPC160426 |
0.914 | High Similarity | NPC128572 |
0.9121 | High Similarity | NPC36372 |
0.9121 | High Similarity | NPC59006 |
0.9121 | High Similarity | NPC293609 |
0.9111 | High Similarity | NPC473472 |
0.9111 | High Similarity | NPC20822 |
0.9111 | High Similarity | NPC228059 |
0.9111 | High Similarity | NPC102725 |
0.9101 | High Similarity | NPC140446 |
0.9101 | High Similarity | NPC43912 |
0.9053 | High Similarity | NPC470030 |
0.9043 | High Similarity | NPC470862 |
0.9043 | High Similarity | NPC470861 |
0.9043 | High Similarity | NPC232611 |
0.9043 | High Similarity | NPC51520 |
0.9043 | High Similarity | NPC115165 |
0.9043 | High Similarity | NPC303069 |
0.9043 | High Similarity | NPC83137 |
0.9022 | High Similarity | NPC277774 |
0.9011 | High Similarity | NPC223143 |
0.8947 | High Similarity | NPC473638 |
0.8947 | High Similarity | NPC291548 |
0.8936 | High Similarity | NPC296936 |
0.8936 | High Similarity | NPC156377 |
0.8925 | High Similarity | NPC191915 |
0.8925 | High Similarity | NPC473503 |
0.8925 | High Similarity | NPC151214 |
0.8913 | High Similarity | NPC473637 |
0.8913 | High Similarity | NPC476668 |
0.8876 | High Similarity | NPC290612 |
0.8842 | High Similarity | NPC470591 |
0.883 | High Similarity | NPC57964 |
0.883 | High Similarity | NPC477494 |
0.883 | High Similarity | NPC469710 |
0.883 | High Similarity | NPC94582 |
0.8817 | High Similarity | NPC476669 |
0.8764 | High Similarity | NPC474156 |
0.8763 | High Similarity | NPC477225 |
0.8737 | High Similarity | NPC252056 |
0.8737 | High Similarity | NPC473287 |
0.8723 | High Similarity | NPC475325 |
0.8713 | High Similarity | NPC476835 |
0.8681 | High Similarity | NPC210658 |
0.8681 | High Similarity | NPC161928 |
0.8681 | High Similarity | NPC472396 |
0.8667 | High Similarity | NPC232044 |
0.8667 | High Similarity | NPC273290 |
0.866 | High Similarity | NPC41843 |
0.8646 | High Similarity | NPC210157 |
0.8617 | High Similarity | NPC224003 |
0.8617 | High Similarity | NPC323231 |
0.8617 | High Similarity | NPC171741 |
0.8617 | High Similarity | NPC470623 |
0.8617 | High Similarity | NPC18724 |
0.8614 | High Similarity | NPC476513 |
0.8587 | High Similarity | NPC128475 |
0.8571 | High Similarity | NPC31346 |
0.8571 | High Similarity | NPC477172 |
0.8556 | High Similarity | NPC227260 |
0.8539 | High Similarity | NPC296734 |
0.8539 | High Similarity | NPC470611 |
0.8539 | High Similarity | NPC475388 |
0.8526 | High Similarity | NPC267238 |
0.8526 | High Similarity | NPC253611 |
0.8526 | High Similarity | NPC148593 |
0.8526 | High Similarity | NPC471373 |
0.8526 | High Similarity | NPC77717 |
0.8511 | High Similarity | NPC473066 |
0.85 | High Similarity | NPC475521 |
0.8469 | Intermediate Similarity | NPC20028 |
0.8438 | Intermediate Similarity | NPC471429 |
0.8438 | Intermediate Similarity | NPC471424 |
0.8438 | Intermediate Similarity | NPC205129 |
0.8438 | Intermediate Similarity | NPC471425 |
0.8438 | Intermediate Similarity | NPC189575 |
0.8438 | Intermediate Similarity | NPC106701 |
0.8431 | Intermediate Similarity | NPC7213 |
0.8431 | Intermediate Similarity | NPC472079 |
0.8416 | Intermediate Similarity | NPC215408 |
0.837 | Intermediate Similarity | NPC471240 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC142264 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 |
---|---|---|---|
0.9444 | High Similarity | NPD8171 | Discontinued |
0.85 | High Similarity | NPD8170 | Clinical (unspecified phase) |
0.8315 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7611 | Intermediate Similarity | NPD8377 | Approved |
0.7611 | Intermediate Similarity | NPD8294 | Approved |
0.7544 | Intermediate Similarity | NPD8296 | Approved |
0.7544 | Intermediate Similarity | NPD8380 | Approved |
0.7544 | Intermediate Similarity | NPD8335 | Approved |
0.7544 | Intermediate Similarity | NPD8379 | Approved |
0.7544 | Intermediate Similarity | NPD8033 | Approved |
0.7544 | Intermediate Similarity | NPD8378 | Approved |
0.7387 | Intermediate Similarity | NPD8133 | Approved |
0.7353 | Intermediate Similarity | NPD7991 | Discontinued |
0.7281 | Intermediate Similarity | NPD7328 | Approved |
0.7281 | Intermediate Similarity | NPD7327 | Approved |
0.7217 | Intermediate Similarity | NPD7516 | Approved |
0.7191 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7065 | Intermediate Similarity | NPD1810 | Approved |
0.7065 | Intermediate Similarity | NPD1811 | Approved |
0.686 | Remote Similarity | NPD7507 | Approved |
0.6807 | Remote Similarity | NPD7503 | Approved |
0.6739 | Remote Similarity | NPD2687 | Approved |
0.6739 | Remote Similarity | NPD2254 | Approved |
0.6739 | Remote Similarity | NPD2686 | Approved |
0.6726 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6696 | Remote Similarity | NPD6412 | Phase 2 |
0.6694 | Remote Similarity | NPD7319 | Approved |
0.6613 | Remote Similarity | NPD7736 | Approved |
0.661 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD3669 | Approved |
0.6559 | Remote Similarity | NPD4787 | Phase 1 |
0.6535 | Remote Similarity | NPD8449 | Approved |
0.6525 | Remote Similarity | NPD6940 | Discontinued |
0.6491 | Remote Similarity | NPD8174 | Phase 2 |
0.6484 | Remote Similarity | NPD8450 | Suspended |
0.6475 | Remote Similarity | NPD6370 | Approved |
0.6429 | Remote Similarity | NPD6115 | Approved |
0.6429 | Remote Similarity | NPD6697 | Approved |
0.6429 | Remote Similarity | NPD6114 | Approved |
0.6429 | Remote Similarity | NPD6118 | Approved |
0.64 | Remote Similarity | NPD8293 | Discontinued |
0.6383 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6327 | Remote Similarity | NPD6116 | Phase 1 |
0.6311 | Remote Similarity | NPD6054 | Approved |
0.6311 | Remote Similarity | NPD6059 | Approved |
0.629 | Remote Similarity | NPD8328 | Phase 3 |
0.6264 | Remote Similarity | NPD371 | Approved |
0.6224 | Remote Similarity | NPD6117 | Approved |
0.6139 | Remote Similarity | NPD7525 | Registered |
0.6129 | Remote Similarity | NPD6015 | Approved |
0.6129 | Remote Similarity | NPD6016 | Approved |
0.6111 | Remote Similarity | NPD7492 | Approved |
0.6106 | Remote Similarity | NPD1700 | Approved |
0.608 | Remote Similarity | NPD5988 | Approved |
0.6063 | Remote Similarity | NPD6616 | Approved |
0.6043 | Remote Similarity | NPD7625 | Phase 1 |
0.6032 | Remote Similarity | NPD6067 | Discontinued |
0.602 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6016 | Remote Similarity | NPD7078 | Approved |
0.5979 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5979 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5963 | Remote Similarity | NPD8034 | Phase 2 |
0.5963 | Remote Similarity | NPD8035 | Phase 2 |
0.596 | Remote Similarity | NPD3703 | Phase 2 |
0.596 | Remote Similarity | NPD3702 | Approved |
0.5948 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5948 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5932 | Remote Similarity | NPD6686 | Approved |
0.5922 | Remote Similarity | NPD1780 | Approved |
0.5922 | Remote Similarity | NPD1779 | Approved |
0.5876 | Remote Similarity | NPD4245 | Approved |
0.5876 | Remote Similarity | NPD4244 | Approved |
0.5868 | Remote Similarity | NPD8297 | Approved |
0.5868 | Remote Similarity | NPD6882 | Approved |
0.5846 | Remote Similarity | NPD6033 | Approved |
0.5806 | Remote Similarity | NPD6009 | Approved |
0.5794 | Remote Similarity | NPD6319 | Approved |
0.5789 | Remote Similarity | NPD7638 | Approved |
0.5773 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD3698 | Phase 2 |
0.5773 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5761 | Remote Similarity | NPD6123 | Approved |
0.5748 | Remote Similarity | NPD8517 | Approved |
0.5748 | Remote Similarity | NPD8513 | Phase 3 |
0.5748 | Remote Similarity | NPD8515 | Approved |
0.5748 | Remote Similarity | NPD8516 | Approved |
0.5741 | Remote Similarity | NPD7524 | Approved |
0.5739 | Remote Similarity | NPD7639 | Approved |
0.5739 | Remote Similarity | NPD7640 | Approved |
0.5728 | Remote Similarity | NPD7645 | Phase 2 |
0.5701 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD4632 | Approved |
0.569 | Remote Similarity | NPD4159 | Approved |
0.567 | Remote Similarity | NPD5360 | Phase 3 |
0.567 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD2267 | Suspended |
0.5667 | Remote Similarity | NPD7320 | Approved |
0.5667 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5659 | Remote Similarity | NPD7604 | Phase 2 |
0.5657 | Remote Similarity | NPD5777 | Approved |
0.5648 | Remote Similarity | NPD8308 | Discontinued |
0.5641 | Remote Similarity | NPD7632 | Discontinued |
0.563 | Remote Similarity | NPD7128 | Approved |
0.563 | Remote Similarity | NPD6402 | Approved |
0.563 | Remote Similarity | NPD6008 | Approved |
0.563 | Remote Similarity | NPD5739 | Approved |
0.563 | Remote Similarity | NPD6675 | Approved |
0.562 | Remote Similarity | NPD6372 | Approved |
0.562 | Remote Similarity | NPD6373 | Approved |
0.562 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
PubChem CID   | 13943297 |
ChEMBL   | CHEMBL3121562 |
ZINC   |
Molecular Weight:   | 784.46 |
ALogP:   | -3.3674 |
MLogP:   | 4.43 |
XLogP:   | 3.326 |
# Rotatable Bonds:   | 23 |
Polar Surface Area:   | 228.22 |
# H-Bond Aceptor:   | 14 |
# H-Bond Donor:   | 9 |
# Rings:   | 8 |
# Heavy Atoms:   | 55 |