Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO30555 | Mentha rotundifolia | Species | Lamiaceae | Eukaryota | TCM_Taiwan* | |||
NPO31132 | Eucalyptus citriodora | Species | Myrtaceae | Eukaryota | TCM_Taiwan* | |||
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TM-MC* | |||
NPO11169 | Piper cubeba | Species | Piperaceae | Eukaryota | TM-MC* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 3.5 | nM | PubChem BioAssay data set |
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 NPC84824 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 | NPC67508 |
0.85 | High Similarity | NPC2728 |
0.85 | High Similarity | NPC282619 |
0.85 | High Similarity | NPC11555 |
0.85 | High Similarity | NPC60837 |
0.85 | High Similarity | NPC208198 |
0.85 | High Similarity | NPC172613 |
0.8361 | Intermediate Similarity | NPC473929 |
0.8333 | Intermediate Similarity | NPC101128 |
0.8333 | Intermediate Similarity | NPC144650 |
0.8235 | Intermediate Similarity | NPC87439 |
0.8148 | Intermediate Similarity | NPC251335 |
0.8077 | Intermediate Similarity | NPC147343 |
0.8077 | Intermediate Similarity | NPC176309 |
0.8077 | Intermediate Similarity | NPC198540 |
0.8077 | Intermediate Similarity | NPC223468 |
0.8077 | Intermediate Similarity | NPC287550 |
0.8077 | Intermediate Similarity | NPC84030 |
0.807 | Intermediate Similarity | NPC210316 |
0.8033 | Intermediate Similarity | NPC219940 |
0.8033 | Intermediate Similarity | NPC225415 |
0.8033 | Intermediate Similarity | NPC68656 |
0.7937 | Intermediate Similarity | NPC253303 |
0.7937 | Intermediate Similarity | NPC269077 |
0.7937 | Intermediate Similarity | NPC139207 |
0.7937 | Intermediate Similarity | NPC185874 |
0.7925 | Intermediate Similarity | NPC100445 |
0.7903 | Intermediate Similarity | NPC300442 |
0.7903 | Intermediate Similarity | NPC258595 |
0.7846 | Intermediate Similarity | NPC92801 |
0.7812 | Intermediate Similarity | NPC244790 |
0.7812 | Intermediate Similarity | NPC276616 |
0.7812 | Intermediate Similarity | NPC266578 |
0.7797 | Intermediate Similarity | NPC474769 |
0.7797 | Intermediate Similarity | NPC189290 |
0.7797 | Intermediate Similarity | NPC475830 |
0.7797 | Intermediate Similarity | NPC240206 |
0.7778 | Intermediate Similarity | NPC326310 |
0.7778 | Intermediate Similarity | NPC202017 |
0.7778 | Intermediate Similarity | NPC475897 |
0.7759 | Intermediate Similarity | NPC24443 |
0.7742 | Intermediate Similarity | NPC323424 |
0.7742 | Intermediate Similarity | NPC96793 |
0.7727 | Intermediate Similarity | NPC242992 |
0.7692 | Intermediate Similarity | NPC234511 |
0.7612 | Intermediate Similarity | NPC265485 |
0.7612 | Intermediate Similarity | NPC220939 |
0.7612 | Intermediate Similarity | NPC95165 |
0.7576 | Intermediate Similarity | NPC45296 |
0.7576 | Intermediate Similarity | NPC283316 |
0.7541 | Intermediate Similarity | NPC240506 |
0.7538 | Intermediate Similarity | NPC245795 |
0.7538 | Intermediate Similarity | NPC96484 |
0.7538 | Intermediate Similarity | NPC208999 |
0.7463 | Intermediate Similarity | NPC301226 |
0.7463 | Intermediate Similarity | NPC164022 |
0.7463 | Intermediate Similarity | NPC23954 |
0.7463 | Intermediate Similarity | NPC111234 |
0.7463 | Intermediate Similarity | NPC167706 |
0.7463 | Intermediate Similarity | NPC477792 |
0.7458 | Intermediate Similarity | NPC264779 |
0.7458 | Intermediate Similarity | NPC39068 |
0.7419 | Intermediate Similarity | NPC147524 |
0.7419 | Intermediate Similarity | NPC194208 |
0.7419 | Intermediate Similarity | NPC79576 |
0.7419 | Intermediate Similarity | NPC282694 |
0.7414 | Intermediate Similarity | NPC286752 |
0.7385 | Intermediate Similarity | NPC308522 |
0.7385 | Intermediate Similarity | NPC74885 |
0.7377 | Intermediate Similarity | NPC122239 |
0.7353 | Intermediate Similarity | NPC211009 |
0.7353 | Intermediate Similarity | NPC182717 |
0.7344 | Intermediate Similarity | NPC471200 |
0.7313 | Intermediate Similarity | NPC145498 |
0.7288 | Intermediate Similarity | NPC148216 |
0.7288 | Intermediate Similarity | NPC251666 |
0.7288 | Intermediate Similarity | NPC232247 |
0.7288 | Intermediate Similarity | NPC130209 |
0.7288 | Intermediate Similarity | NPC148163 |
0.7286 | Intermediate Similarity | NPC265588 |
0.7258 | Intermediate Similarity | NPC66020 |
0.7246 | Intermediate Similarity | NPC145552 |
0.7246 | Intermediate Similarity | NPC62657 |
0.7246 | Intermediate Similarity | NPC100334 |
0.7246 | Intermediate Similarity | NPC254509 |
0.7246 | Intermediate Similarity | NPC243342 |
0.7246 | Intermediate Similarity | NPC196358 |
0.7246 | Intermediate Similarity | NPC5046 |
0.7246 | Intermediate Similarity | NPC25511 |
0.7246 | Intermediate Similarity | NPC308440 |
0.7246 | Intermediate Similarity | NPC472503 |
0.7246 | Intermediate Similarity | NPC192638 |
0.7246 | Intermediate Similarity | NPC477138 |
0.7246 | Intermediate Similarity | NPC49168 |
0.7231 | Intermediate Similarity | NPC267027 |
0.7206 | Intermediate Similarity | NPC110799 |
0.7206 | Intermediate Similarity | NPC242001 |
0.7193 | Intermediate Similarity | NPC307022 |
0.7188 | Intermediate Similarity | NPC290367 |
0.7183 | Intermediate Similarity | NPC91594 |
0.7183 | Intermediate Similarity | NPC471798 |
0.717 | Intermediate Similarity | NPC144891 |
0.7164 | Intermediate Similarity | NPC474248 |
0.7164 | Intermediate Similarity | NPC9942 |
0.7164 | Intermediate Similarity | NPC210323 |
0.7143 | Intermediate Similarity | NPC68679 |
0.7143 | Intermediate Similarity | NPC291503 |
0.7143 | Intermediate Similarity | NPC225342 |
0.7143 | Intermediate Similarity | NPC230704 |
0.7143 | Intermediate Similarity | NPC104387 |
0.7143 | Intermediate Similarity | NPC477923 |
0.7143 | Intermediate Similarity | NPC231256 |
0.7143 | Intermediate Similarity | NPC66566 |
0.7143 | Intermediate Similarity | NPC144075 |
0.7143 | Intermediate Similarity | NPC121744 |
0.7143 | Intermediate Similarity | NPC3403 |
0.7143 | Intermediate Similarity | NPC212879 |
0.7143 | Intermediate Similarity | NPC207007 |
0.7143 | Intermediate Similarity | NPC118508 |
0.7143 | Intermediate Similarity | NPC240235 |
0.7143 | Intermediate Similarity | NPC321867 |
0.7143 | Intermediate Similarity | NPC70982 |
0.7143 | Intermediate Similarity | NPC178383 |
0.7143 | Intermediate Similarity | NPC185536 |
0.7143 | Intermediate Similarity | NPC200243 |
0.7143 | Intermediate Similarity | NPC322353 |
0.7121 | Intermediate Similarity | NPC114651 |
0.7121 | Intermediate Similarity | NPC476650 |
0.7121 | Intermediate Similarity | NPC82337 |
0.7119 | Intermediate Similarity | NPC53209 |
0.7101 | Intermediate Similarity | NPC195489 |
0.7101 | Intermediate Similarity | NPC471799 |
0.7083 | Intermediate Similarity | NPC22955 |
0.7083 | Intermediate Similarity | NPC470396 |
0.7083 | Intermediate Similarity | NPC474989 |
0.7083 | Intermediate Similarity | NPC52755 |
0.7083 | Intermediate Similarity | NPC99168 |
0.7083 | Intermediate Similarity | NPC275910 |
0.7077 | Intermediate Similarity | NPC27243 |
0.7077 | Intermediate Similarity | NPC476737 |
0.7077 | Intermediate Similarity | NPC287339 |
0.7077 | Intermediate Similarity | NPC64123 |
0.7069 | Intermediate Similarity | NPC179169 |
0.7069 | Intermediate Similarity | NPC157781 |
0.7069 | Intermediate Similarity | NPC306195 |
0.7069 | Intermediate Similarity | NPC181255 |
0.7069 | Intermediate Similarity | NPC35519 |
0.7059 | Intermediate Similarity | NPC34834 |
0.7042 | Intermediate Similarity | NPC122418 |
0.7042 | Intermediate Similarity | NPC240604 |
0.7042 | Intermediate Similarity | NPC30590 |
0.7042 | Intermediate Similarity | NPC106364 |
0.7042 | Intermediate Similarity | NPC189883 |
0.7042 | Intermediate Similarity | NPC290598 |
0.7042 | Intermediate Similarity | NPC46160 |
0.7042 | Intermediate Similarity | NPC300324 |
0.7042 | Intermediate Similarity | NPC202642 |
0.7042 | Intermediate Similarity | NPC265328 |
0.7042 | Intermediate Similarity | NPC237460 |
0.7042 | Intermediate Similarity | NPC278091 |
0.7042 | Intermediate Similarity | NPC14112 |
0.7042 | Intermediate Similarity | NPC91573 |
0.7042 | Intermediate Similarity | NPC63958 |
0.7042 | Intermediate Similarity | NPC73875 |
0.7042 | Intermediate Similarity | NPC86305 |
0.7042 | Intermediate Similarity | NPC78067 |
0.7042 | Intermediate Similarity | NPC27765 |
0.7042 | Intermediate Similarity | NPC93662 |
0.7042 | Intermediate Similarity | NPC120098 |
0.7031 | Intermediate Similarity | NPC83200 |
0.7031 | Intermediate Similarity | NPC279200 |
0.7031 | Intermediate Similarity | NPC473508 |
0.7015 | Intermediate Similarity | NPC471238 |
0.7015 | Intermediate Similarity | NPC2648 |
0.7 | Intermediate Similarity | NPC71152 |
0.7 | Intermediate Similarity | NPC201048 |
0.7 | Intermediate Similarity | NPC91858 |
0.7 | Intermediate Similarity | NPC471797 |
0.7 | Intermediate Similarity | NPC476366 |
0.6986 | Remote Similarity | NPC53744 |
0.6986 | Remote Similarity | NPC5604 |
0.6986 | Remote Similarity | NPC472463 |
0.6986 | Remote Similarity | NPC281138 |
0.6986 | Remote Similarity | NPC291379 |
0.6984 | Remote Similarity | NPC99487 |
0.697 | Remote Similarity | NPC476406 |
0.697 | Remote Similarity | NPC272125 |
0.6957 | Remote Similarity | NPC469343 |
0.6957 | Remote Similarity | NPC471268 |
0.6957 | Remote Similarity | NPC471272 |
0.6957 | Remote Similarity | NPC164045 |
0.6957 | Remote Similarity | NPC471271 |
0.6944 | Remote Similarity | NPC212241 |
0.6944 | Remote Similarity | NPC202540 |
0.6944 | Remote Similarity | NPC257191 |
0.6944 | Remote Similarity | NPC119355 |
0.6944 | Remote Similarity | NPC214570 |
0.6944 | Remote Similarity | NPC138502 |
0.6944 | Remote Similarity | NPC90979 |
0.6944 | Remote Similarity | NPC477924 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC84824 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 |
---|---|---|---|
0.8077 | Intermediate Similarity | NPD384 | Approved |
0.8077 | Intermediate Similarity | NPD385 | Approved |
0.7288 | Intermediate Similarity | NPD342 | Phase 1 |
0.7143 | Intermediate Similarity | NPD368 | Approved |
0.6901 | Remote Similarity | NPD7339 | Approved |
0.6901 | Remote Similarity | NPD6942 | Approved |
0.6806 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6761 | Remote Similarity | NPD6924 | Approved |
0.6761 | Remote Similarity | NPD6926 | Approved |
0.6757 | Remote Similarity | NPD7645 | Phase 2 |
0.6719 | Remote Similarity | NPD1145 | Discontinued |
0.6667 | Remote Similarity | NPD7525 | Registered |
0.6667 | Remote Similarity | NPD6922 | Approved |
0.6667 | Remote Similarity | NPD6923 | Approved |
0.6575 | Remote Similarity | NPD6933 | Approved |
0.6571 | Remote Similarity | NPD7144 | Approved |
0.6571 | Remote Similarity | NPD7143 | Approved |
0.6552 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.6479 | Remote Similarity | NPD7151 | Approved |
0.6479 | Remote Similarity | NPD7150 | Approved |
0.6479 | Remote Similarity | NPD7152 | Approved |
0.6447 | Remote Similarity | NPD7509 | Discontinued |
0.6316 | Remote Similarity | NPD386 | Approved |
0.6316 | Remote Similarity | NPD6929 | Approved |
0.6316 | Remote Similarity | NPD388 | Approved |
0.6282 | Remote Similarity | NPD3667 | Approved |
0.625 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD6931 | Approved |
0.6234 | Remote Similarity | NPD4748 | Discontinued |
0.6234 | Remote Similarity | NPD6930 | Phase 2 |
0.6216 | Remote Similarity | NPD8264 | Approved |
0.6176 | Remote Similarity | NPD371 | Approved |
0.6173 | Remote Similarity | NPD3618 | Phase 1 |
0.6125 | Remote Similarity | NPD4786 | Approved |
0.6081 | Remote Similarity | NPD4784 | Approved |
0.6081 | Remote Similarity | NPD4785 | Approved |
0.6053 | Remote Similarity | NPD5776 | Phase 2 |
0.6053 | Remote Similarity | NPD6925 | Approved |
0.6053 | Remote Similarity | NPD6932 | Approved |
0.6027 | Remote Similarity | NPD4243 | Approved |
0.6 | Remote Similarity | NPD6695 | Phase 3 |
0.5974 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD7145 | Approved |
0.5952 | Remote Similarity | NPD5328 | Approved |
0.5926 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD3133 | Approved |
0.5926 | Remote Similarity | NPD3665 | Phase 1 |
0.5926 | Remote Similarity | NPD3666 | Approved |
0.5904 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD6683 | Phase 2 |
0.5854 | Remote Similarity | NPD6893 | Approved |
0.5823 | Remote Similarity | NPD7332 | Phase 2 |
0.5823 | Remote Similarity | NPD7514 | Phase 3 |
0.5814 | Remote Similarity | NPD6079 | Approved |
0.5814 | Remote Similarity | NPD7515 | Phase 2 |
0.5802 | Remote Similarity | NPD4788 | Approved |
0.5789 | Remote Similarity | NPD1462 | Approved |
0.5789 | Remote Similarity | NPD5275 | Approved |
0.5789 | Remote Similarity | NPD4190 | Phase 3 |
0.5753 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD6898 | Phase 1 |
0.575 | Remote Similarity | NPD6902 | Approved |
0.5747 | Remote Similarity | NPD4202 | Approved |
0.5733 | Remote Similarity | NPD4732 | Discontinued |
0.5714 | Remote Similarity | NPD1460 | Approved |
0.5714 | Remote Similarity | NPD7750 | Discontinued |
0.5714 | Remote Similarity | NPD7524 | Approved |
0.5634 | Remote Similarity | NPD7341 | Phase 2 |
0.5632 | Remote Similarity | NPD8034 | Phase 2 |
0.5632 | Remote Similarity | NPD8035 | Phase 2 |
0.5606 | Remote Similarity | NPD4219 | Approved |
PubChem CID   | 24585 |
ChEMBL   | CHEMBL3560085 |
ZINC   |
Molecular Weight:   | 154.14 |
ALogP:   | 1.2373 |
MLogP:   | 2.45 |
XLogP:   | 2.395 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 11 |