Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29016 | Valeriana jatamansi | Species | Caprifoliaceae | Eukaryota |
PMID[19245261] |
|||
NPO28211 | Valeriana jatamansii | Species | Caprifoliaceae | Eukaryota | TCM_Taiwan* | |||
NPO28211 | Valeriana jatamansii | Species | Caprifoliaceae | Eukaryota | HerDing* | |||
NPO29016 | Valeriana jatamansi | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO28211 | Valeriana jatamansii | Species | Caprifoliaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 2900 | nM | 19245261 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | = | 1000 | nM | 19245261 |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | = | 1700 | nM | 19245261 |
NPT2 | Others | Unspecified | IC50 | = | 1400 | nM | 19245261 |
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 NPC90819 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 |
---|---|---|
0.967 | High Similarity | NPC291709 |
0.967 | High Similarity | NPC241407 |
0.957 | High Similarity | NPC124181 |
0.9462 | High Similarity | NPC153559 |
0.9368 | High Similarity | NPC4637 |
0.9368 | High Similarity | NPC98859 |
0.9362 | High Similarity | NPC473307 |
0.9158 | High Similarity | NPC151093 |
0.9062 | High Similarity | NPC244878 |
0.8969 | High Similarity | NPC219038 |
0.8969 | High Similarity | NPC20673 |
0.8878 | High Similarity | NPC471599 |
0.8333 | Intermediate Similarity | NPC66504 |
0.8211 | Intermediate Similarity | NPC233997 |
0.8 | Intermediate Similarity | NPC471480 |
0.8 | Intermediate Similarity | NPC170527 |
0.7921 | Intermediate Similarity | NPC86843 |
0.7822 | Intermediate Similarity | NPC284063 |
0.78 | Intermediate Similarity | NPC274588 |
0.7723 | Intermediate Similarity | NPC6765 |
0.7723 | Intermediate Similarity | NPC93869 |
0.7692 | Intermediate Similarity | NPC476228 |
0.7642 | Intermediate Similarity | NPC86095 |
0.7619 | Intermediate Similarity | NPC222062 |
0.7596 | Intermediate Similarity | NPC255677 |
0.7596 | Intermediate Similarity | NPC306344 |
0.7596 | Intermediate Similarity | NPC22149 |
0.7547 | Intermediate Similarity | NPC329834 |
0.7547 | Intermediate Similarity | NPC267869 |
0.7547 | Intermediate Similarity | NPC234304 |
0.7547 | Intermediate Similarity | NPC329704 |
0.7547 | Intermediate Similarity | NPC284929 |
0.7547 | Intermediate Similarity | NPC197541 |
0.7547 | Intermediate Similarity | NPC118761 |
0.7524 | Intermediate Similarity | NPC28304 |
0.7524 | Intermediate Similarity | NPC298255 |
0.7477 | Intermediate Similarity | NPC305157 |
0.7477 | Intermediate Similarity | NPC307846 |
0.7453 | Intermediate Similarity | NPC195510 |
0.7453 | Intermediate Similarity | NPC13171 |
0.7453 | Intermediate Similarity | NPC310804 |
0.7453 | Intermediate Similarity | NPC261117 |
0.7429 | Intermediate Similarity | NPC476211 |
0.7429 | Intermediate Similarity | NPC476320 |
0.7368 | Intermediate Similarity | NPC475946 |
0.7368 | Intermediate Similarity | NPC474739 |
0.7358 | Intermediate Similarity | NPC476230 |
0.7358 | Intermediate Similarity | NPC27474 |
0.7358 | Intermediate Similarity | NPC216911 |
0.7353 | Intermediate Similarity | NPC280390 |
0.7339 | Intermediate Similarity | NPC474285 |
0.7339 | Intermediate Similarity | NPC254538 |
0.7312 | Intermediate Similarity | NPC301525 |
0.7308 | Intermediate Similarity | NPC241911 |
0.729 | Intermediate Similarity | NPC250545 |
0.7282 | Intermediate Similarity | NPC88507 |
0.7282 | Intermediate Similarity | NPC472198 |
0.7273 | Intermediate Similarity | NPC137253 |
0.7273 | Intermediate Similarity | NPC204048 |
0.7264 | Intermediate Similarity | NPC473204 |
0.7255 | Intermediate Similarity | NPC9447 |
0.7255 | Intermediate Similarity | NPC472199 |
0.7248 | Intermediate Similarity | NPC470975 |
0.7248 | Intermediate Similarity | NPC103088 |
0.7248 | Intermediate Similarity | NPC470979 |
0.7241 | Intermediate Similarity | NPC219656 |
0.7238 | Intermediate Similarity | NPC471490 |
0.7228 | Intermediate Similarity | NPC64913 |
0.7228 | Intermediate Similarity | NPC242877 |
0.7212 | Intermediate Similarity | NPC471492 |
0.7193 | Intermediate Similarity | NPC106446 |
0.7184 | Intermediate Similarity | NPC320552 |
0.7184 | Intermediate Similarity | NPC61201 |
0.717 | Intermediate Similarity | NPC279561 |
0.717 | Intermediate Similarity | NPC471366 |
0.717 | Intermediate Similarity | NPC318917 |
0.717 | Intermediate Similarity | NPC472186 |
0.717 | Intermediate Similarity | NPC476800 |
0.7157 | Intermediate Similarity | NPC327253 |
0.7157 | Intermediate Similarity | NPC475748 |
0.7155 | Intermediate Similarity | NPC13710 |
0.7143 | Intermediate Similarity | NPC475989 |
0.7143 | Intermediate Similarity | NPC54731 |
0.7143 | Intermediate Similarity | NPC193741 |
0.7143 | Intermediate Similarity | NPC311166 |
0.713 | Intermediate Similarity | NPC277583 |
0.7129 | Intermediate Similarity | NPC473151 |
0.7119 | Intermediate Similarity | NPC233500 |
0.7119 | Intermediate Similarity | NPC470829 |
0.7119 | Intermediate Similarity | NPC473228 |
0.7117 | Intermediate Similarity | NPC110701 |
0.7115 | Intermediate Similarity | NPC281775 |
0.7105 | Intermediate Similarity | NPC287075 |
0.7103 | Intermediate Similarity | NPC472187 |
0.7103 | Intermediate Similarity | NPC130792 |
0.7103 | Intermediate Similarity | NPC98813 |
0.7103 | Intermediate Similarity | NPC473545 |
0.7103 | Intermediate Similarity | NPC473146 |
0.7103 | Intermediate Similarity | NPC13743 |
0.7094 | Intermediate Similarity | NPC268326 |
0.7094 | Intermediate Similarity | NPC153085 |
0.7091 | Intermediate Similarity | NPC470980 |
0.7087 | Intermediate Similarity | NPC235051 |
0.7083 | Intermediate Similarity | NPC271632 |
0.7075 | Intermediate Similarity | NPC2666 |
0.7075 | Intermediate Similarity | NPC472290 |
0.7075 | Intermediate Similarity | NPC472188 |
0.7064 | Intermediate Similarity | NPC19239 |
0.7064 | Intermediate Similarity | NPC232515 |
0.7064 | Intermediate Similarity | NPC475928 |
0.7064 | Intermediate Similarity | NPC37240 |
0.7064 | Intermediate Similarity | NPC474166 |
0.7059 | Intermediate Similarity | NPC50464 |
0.7059 | Intermediate Similarity | NPC249408 |
0.7059 | Intermediate Similarity | NPC196130 |
0.7059 | Intermediate Similarity | NPC104129 |
0.7054 | Intermediate Similarity | NPC316974 |
0.7048 | Intermediate Similarity | NPC167893 |
0.7048 | Intermediate Similarity | NPC170204 |
0.7048 | Intermediate Similarity | NPC220221 |
0.7041 | Intermediate Similarity | NPC10080 |
0.7041 | Intermediate Similarity | NPC123908 |
0.703 | Intermediate Similarity | NPC74139 |
0.7027 | Intermediate Similarity | NPC148270 |
0.7027 | Intermediate Similarity | NPC80338 |
0.7027 | Intermediate Similarity | NPC197813 |
0.7019 | Intermediate Similarity | NPC320089 |
0.7019 | Intermediate Similarity | NPC472195 |
0.7019 | Intermediate Similarity | NPC238090 |
0.7019 | Intermediate Similarity | NPC472196 |
0.7018 | Intermediate Similarity | NPC475851 |
0.7018 | Intermediate Similarity | NPC471933 |
0.7018 | Intermediate Similarity | NPC475924 |
0.7018 | Intermediate Similarity | NPC241477 |
0.7009 | Intermediate Similarity | NPC203627 |
0.7 | Intermediate Similarity | NPC473207 |
0.7 | Intermediate Similarity | NPC469869 |
0.7 | Intermediate Similarity | NPC470321 |
0.7 | Intermediate Similarity | NPC470658 |
0.7 | Intermediate Similarity | NPC81567 |
0.7 | Intermediate Similarity | NPC474917 |
0.7 | Intermediate Similarity | NPC219804 |
0.7 | Intermediate Similarity | NPC201880 |
0.7 | Intermediate Similarity | NPC264867 |
0.6991 | Remote Similarity | NPC281624 |
0.6991 | Remote Similarity | NPC15551 |
0.699 | Remote Similarity | NPC51653 |
0.699 | Remote Similarity | NPC303451 |
0.699 | Remote Similarity | NPC6414 |
0.6981 | Remote Similarity | NPC473333 |
0.6981 | Remote Similarity | NPC17585 |
0.6981 | Remote Similarity | NPC288350 |
0.6981 | Remote Similarity | NPC173329 |
0.6981 | Remote Similarity | NPC113433 |
0.6981 | Remote Similarity | NPC306041 |
0.6981 | Remote Similarity | NPC171598 |
0.6979 | Remote Similarity | NPC474005 |
0.6975 | Remote Similarity | NPC204731 |
0.6972 | Remote Similarity | NPC474730 |
0.6972 | Remote Similarity | NPC475986 |
0.6972 | Remote Similarity | NPC200672 |
0.6972 | Remote Similarity | NPC35185 |
0.6972 | Remote Similarity | NPC177013 |
0.6972 | Remote Similarity | NPC105725 |
0.6972 | Remote Similarity | NPC214714 |
0.6972 | Remote Similarity | NPC470972 |
0.6972 | Remote Similarity | NPC4899 |
0.6967 | Remote Similarity | NPC298841 |
0.6964 | Remote Similarity | NPC217921 |
0.6964 | Remote Similarity | NPC475960 |
0.6964 | Remote Similarity | NPC48548 |
0.6964 | Remote Similarity | NPC128795 |
0.6964 | Remote Similarity | NPC135015 |
0.6964 | Remote Similarity | NPC311223 |
0.6961 | Remote Similarity | NPC137368 |
0.6952 | Remote Similarity | NPC159698 |
0.6952 | Remote Similarity | NPC256368 |
0.6939 | Remote Similarity | NPC79277 |
0.6939 | Remote Similarity | NPC474894 |
0.6939 | Remote Similarity | NPC475481 |
0.6937 | Remote Similarity | NPC170432 |
0.6937 | Remote Similarity | NPC16313 |
0.6937 | Remote Similarity | NPC469401 |
0.6937 | Remote Similarity | NPC475802 |
0.6937 | Remote Similarity | NPC9303 |
0.693 | Remote Similarity | NPC71680 |
0.693 | Remote Similarity | NPC475495 |
0.6923 | Remote Similarity | NPC294643 |
0.6923 | Remote Similarity | NPC477749 |
0.6923 | Remote Similarity | NPC472197 |
0.6923 | Remote Similarity | NPC158061 |
0.6923 | Remote Similarity | NPC175842 |
0.6923 | Remote Similarity | NPC32494 |
0.6923 | Remote Similarity | NPC274274 |
0.6923 | Remote Similarity | NPC473150 |
0.6916 | Remote Similarity | NPC471140 |
0.6909 | Remote Similarity | NPC127933 |
0.6909 | Remote Similarity | NPC197736 |
0.6909 | Remote Similarity | NPC475889 |
0.6909 | Remote Similarity | NPC7613 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC90819 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 |
---|---|---|---|
0.699 | Remote Similarity | NPD7838 | Discovery |
0.6975 | Remote Similarity | NPD7503 | Approved |
0.6893 | Remote Similarity | NPD1695 | Approved |
0.6875 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6852 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6833 | Remote Similarity | NPD8513 | Phase 3 |
0.6827 | Remote Similarity | NPD46 | Approved |
0.6827 | Remote Similarity | NPD6698 | Approved |
0.6696 | Remote Similarity | NPD6371 | Approved |
0.6694 | Remote Similarity | NPD8515 | Approved |
0.6694 | Remote Similarity | NPD8516 | Approved |
0.6694 | Remote Similarity | NPD8517 | Approved |
0.6667 | Remote Similarity | NPD6686 | Approved |
0.6636 | Remote Similarity | NPD6648 | Approved |
0.6604 | Remote Similarity | NPD7983 | Approved |
0.6538 | Remote Similarity | NPD4251 | Approved |
0.6538 | Remote Similarity | NPD4250 | Approved |
0.6496 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6457 | Remote Similarity | NPD7319 | Approved |
0.6449 | Remote Similarity | NPD7637 | Suspended |
0.6446 | Remote Similarity | NPD7328 | Approved |
0.6446 | Remote Similarity | NPD7327 | Approved |
0.6442 | Remote Similarity | NPD4249 | Approved |
0.6441 | Remote Similarity | NPD6053 | Discontinued |
0.6423 | Remote Similarity | NPD8033 | Approved |
0.6393 | Remote Similarity | NPD7516 | Approved |
0.6373 | Remote Similarity | NPD5209 | Approved |
0.6349 | Remote Similarity | NPD7507 | Approved |
0.6346 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6341 | Remote Similarity | NPD8377 | Approved |
0.6341 | Remote Similarity | NPD8294 | Approved |
0.632 | Remote Similarity | NPD7830 | Approved |
0.632 | Remote Similarity | NPD7829 | Approved |
0.6311 | Remote Similarity | NPD7154 | Phase 3 |
0.629 | Remote Similarity | NPD8335 | Approved |
0.629 | Remote Similarity | NPD8380 | Approved |
0.629 | Remote Similarity | NPD8296 | Approved |
0.629 | Remote Similarity | NPD8378 | Approved |
0.629 | Remote Similarity | NPD8379 | Approved |
0.6283 | Remote Similarity | NPD5344 | Discontinued |
0.6239 | Remote Similarity | NPD5779 | Approved |
0.6239 | Remote Similarity | NPD5778 | Approved |
0.622 | Remote Similarity | NPD8451 | Approved |
0.6216 | Remote Similarity | NPD7839 | Suspended |
0.619 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6172 | Remote Similarity | NPD8448 | Approved |
0.6172 | Remote Similarity | NPD8074 | Phase 3 |
0.616 | Remote Similarity | NPD8444 | Approved |
0.6116 | Remote Similarity | NPD8133 | Approved |
0.6098 | Remote Similarity | NPD7115 | Discovery |
0.6063 | Remote Similarity | NPD7642 | Approved |
0.6036 | Remote Similarity | NPD5282 | Discontinued |
0.6031 | Remote Similarity | NPD8392 | Approved |
0.6031 | Remote Similarity | NPD8390 | Approved |
0.6031 | Remote Similarity | NPD8391 | Approved |
0.6019 | Remote Similarity | NPD4819 | Approved |
0.6019 | Remote Similarity | NPD4820 | Approved |
0.6019 | Remote Similarity | NPD4822 | Approved |
0.6019 | Remote Similarity | NPD4821 | Approved |
0.6017 | Remote Similarity | NPD6412 | Phase 2 |
0.6016 | Remote Similarity | NPD8342 | Approved |
0.6016 | Remote Similarity | NPD8341 | Approved |
0.6016 | Remote Similarity | NPD8340 | Approved |
0.6016 | Remote Similarity | NPD8299 | Approved |
0.6 | Remote Similarity | NPD5362 | Discontinued |
0.6 | Remote Similarity | NPD8337 | Approved |
0.6 | Remote Similarity | NPD8336 | Approved |
0.598 | Remote Similarity | NPD4271 | Approved |
0.598 | Remote Similarity | NPD4268 | Approved |
0.5969 | Remote Similarity | NPD8273 | Phase 1 |
0.5968 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5965 | Remote Similarity | NPD4225 | Approved |
0.5965 | Remote Similarity | NPD7638 | Approved |
0.5963 | Remote Similarity | NPD6051 | Approved |
0.5943 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5943 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD7524 | Approved |
0.5923 | Remote Similarity | NPD8293 | Discontinued |
0.5913 | Remote Similarity | NPD7639 | Approved |
0.5913 | Remote Similarity | NPD7640 | Approved |
0.5895 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5878 | Remote Similarity | NPD7736 | Approved |
0.5859 | Remote Similarity | NPD6370 | Approved |
0.5849 | Remote Similarity | NPD6695 | Phase 3 |
0.5821 | Remote Similarity | NPD8338 | Approved |
0.5818 | Remote Similarity | NPD6101 | Approved |
0.5818 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.581 | Remote Similarity | NPD5369 | Approved |
0.5798 | Remote Similarity | NPD6008 | Approved |
0.5781 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD7492 | Approved |
0.5766 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.5766 | Remote Similarity | NPD3168 | Discontinued |
0.5766 | Remote Similarity | NPD5785 | Approved |
0.5755 | Remote Similarity | NPD4270 | Approved |
0.5755 | Remote Similarity | NPD4269 | Approved |
0.5738 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5736 | Remote Similarity | NPD8080 | Discontinued |
0.5725 | Remote Similarity | NPD6616 | Approved |
0.5714 | Remote Similarity | NPD6411 | Approved |
0.5714 | Remote Similarity | NPD4252 | Approved |
0.5703 | Remote Similarity | NPD6059 | Approved |
0.5703 | Remote Similarity | NPD6054 | Approved |
0.5702 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD5331 | Approved |
0.5701 | Remote Similarity | NPD5332 | Approved |
0.5688 | Remote Similarity | NPD5786 | Approved |
0.5686 | Remote Similarity | NPD8039 | Approved |
0.5682 | Remote Similarity | NPD7078 | Approved |
0.5669 | Remote Similarity | NPD7641 | Discontinued |
0.566 | Remote Similarity | NPD4790 | Discontinued |
0.5656 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD7750 | Discontinued |
0.5607 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD6435 | Approved |
PubChem CID   | 65717 |
ChEMBL   | CHEMBL563350 |
ZINC   |
Molecular Weight:   | 480.20 |
ALogP:   | 0.1212 |
MLogP:   | 3 |
XLogP:   | 2.464 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 126.96 |
# H-Bond Aceptor:   | 10 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 34 |