Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO33634.1 | Aconitum yesoense var. macroyesoense | Under-species | Ranunculaceae | Eukaryota | roots |
PMID[18044843] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 840000 | nM | 18044843 | |
NPT2 | Others | Unspecified | IC50 | > | 5 | ug/ml | 18044843 | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | > | 20000 | nM | 25770782 |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | > | 20000 | nM | 25770782 |
NPT91 | Cell Line | KB | Homo sapiens | GI50 | > | 20000 | nM | 25770782 |
NPT2 | Others | Unspecified | GI50 | > | 20000 | nM | 25770782 |
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 NPC476499 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 |
---|---|---|
0.981 | High Similarity | NPC476498 |
0.8559 | High Similarity | NPC287764 |
0.8288 | Intermediate Similarity | NPC46981 |
0.7705 | Intermediate Similarity | NPC476504 |
0.7661 | Intermediate Similarity | NPC476503 |
0.7658 | Intermediate Similarity | NPC91604 |
0.7561 | Intermediate Similarity | NPC238323 |
0.7458 | Intermediate Similarity | NPC139778 |
0.735 | Intermediate Similarity | NPC8009 |
0.735 | Intermediate Similarity | NPC83047 |
0.735 | Intermediate Similarity | NPC267217 |
0.735 | Intermediate Similarity | NPC48127 |
0.7328 | Intermediate Similarity | NPC212874 |
0.7321 | Intermediate Similarity | NPC289140 |
0.704 | Intermediate Similarity | NPC475887 |
0.6929 | Remote Similarity | NPC99905 |
0.6929 | Remote Similarity | NPC96080 |
0.6929 | Remote Similarity | NPC208118 |
0.6885 | Remote Similarity | NPC472359 |
0.687 | Remote Similarity | NPC470537 |
0.6864 | Remote Similarity | NPC176012 |
0.6822 | Remote Similarity | NPC478138 |
0.681 | Remote Similarity | NPC474164 |
0.6803 | Remote Similarity | NPC85001 |
0.6803 | Remote Similarity | NPC147835 |
0.6803 | Remote Similarity | NPC253645 |
0.6803 | Remote Similarity | NPC95920 |
0.6794 | Remote Similarity | NPC94881 |
0.6794 | Remote Similarity | NPC48886 |
0.6794 | Remote Similarity | NPC265275 |
0.6774 | Remote Similarity | NPC124358 |
0.6767 | Remote Similarity | NPC476967 |
0.6746 | Remote Similarity | NPC476502 |
0.6742 | Remote Similarity | NPC280903 |
0.6724 | Remote Similarity | NPC476903 |
0.672 | Remote Similarity | NPC478137 |
0.6694 | Remote Similarity | NPC55462 |
0.6694 | Remote Similarity | NPC86906 |
0.6614 | Remote Similarity | NPC304646 |
0.6614 | Remote Similarity | NPC28280 |
0.6612 | Remote Similarity | NPC475239 |
0.6583 | Remote Similarity | NPC50815 |
0.6583 | Remote Similarity | NPC471083 |
0.6574 | Remote Similarity | NPC47149 |
0.6567 | Remote Similarity | NPC476497 |
0.6555 | Remote Similarity | NPC201712 |
0.6545 | Remote Similarity | NPC470929 |
0.6529 | Remote Similarity | NPC241879 |
0.6525 | Remote Similarity | NPC140300 |
0.6514 | Remote Similarity | NPC109533 |
0.6496 | Remote Similarity | NPC155985 |
0.6493 | Remote Similarity | NPC476501 |
0.6481 | Remote Similarity | NPC24504 |
0.6452 | Remote Similarity | NPC159367 |
0.6449 | Remote Similarity | NPC119355 |
0.6449 | Remote Similarity | NPC202540 |
0.6449 | Remote Similarity | NPC212241 |
0.6449 | Remote Similarity | NPC248830 |
0.6446 | Remote Similarity | NPC247060 |
0.6446 | Remote Similarity | NPC476755 |
0.6435 | Remote Similarity | NPC312637 |
0.6429 | Remote Similarity | NPC79238 |
0.6429 | Remote Similarity | NPC75810 |
0.6422 | Remote Similarity | NPC78545 |
0.6422 | Remote Similarity | NPC475679 |
0.6422 | Remote Similarity | NPC71535 |
0.6415 | Remote Similarity | NPC185536 |
0.6393 | Remote Similarity | NPC473254 |
0.6393 | Remote Similarity | NPC90538 |
0.6389 | Remote Similarity | NPC472499 |
0.6389 | Remote Similarity | NPC477819 |
0.6389 | Remote Similarity | NPC472502 |
0.6389 | Remote Similarity | NPC475 |
0.6389 | Remote Similarity | NPC472500 |
0.6389 | Remote Similarity | NPC301707 |
0.6389 | Remote Similarity | NPC477817 |
0.6387 | Remote Similarity | NPC473537 |
0.6371 | Remote Similarity | NPC25340 |
0.6364 | Remote Similarity | NPC242692 |
0.6357 | Remote Similarity | NPC470538 |
0.6357 | Remote Similarity | NPC476955 |
0.6357 | Remote Similarity | NPC165396 |
0.6355 | Remote Similarity | NPC86305 |
0.6355 | Remote Similarity | NPC14112 |
0.6339 | Remote Similarity | NPC256567 |
0.6333 | Remote Similarity | NPC475249 |
0.6333 | Remote Similarity | NPC252564 |
0.633 | Remote Similarity | NPC475727 |
0.633 | Remote Similarity | NPC472742 |
0.633 | Remote Similarity | NPC80297 |
0.633 | Remote Similarity | NPC476316 |
0.633 | Remote Similarity | NPC116119 |
0.6324 | Remote Similarity | NPC212106 |
0.6321 | Remote Similarity | NPC472503 |
0.6321 | Remote Similarity | NPC308440 |
0.6296 | Remote Similarity | NPC138502 |
0.6296 | Remote Similarity | NPC257191 |
0.6296 | Remote Similarity | NPC331618 |
0.6281 | Remote Similarity | NPC275686 |
0.6279 | Remote Similarity | NPC135431 |
0.6262 | Remote Similarity | NPC104387 |
0.6262 | Remote Similarity | NPC3403 |
0.6262 | Remote Similarity | NPC240235 |
0.6262 | Remote Similarity | NPC178383 |
0.6262 | Remote Similarity | NPC231256 |
0.6262 | Remote Similarity | NPC212879 |
0.626 | Remote Similarity | NPC474583 |
0.626 | Remote Similarity | NPC293299 |
0.626 | Remote Similarity | NPC45365 |
0.626 | Remote Similarity | NPC476952 |
0.625 | Remote Similarity | NPC246956 |
0.625 | Remote Similarity | NPC232023 |
0.625 | Remote Similarity | NPC56796 |
0.624 | Remote Similarity | NPC169375 |
0.6239 | Remote Similarity | NPC472342 |
0.6239 | Remote Similarity | NPC31828 |
0.6231 | Remote Similarity | NPC209252 |
0.623 | Remote Similarity | NPC475518 |
0.6228 | Remote Similarity | NPC24277 |
0.6222 | Remote Similarity | NPC296686 |
0.6218 | Remote Similarity | NPC272732 |
0.6218 | Remote Similarity | NPC311164 |
0.6216 | Remote Similarity | NPC157655 |
0.6204 | Remote Similarity | NPC38141 |
0.6204 | Remote Similarity | NPC278091 |
0.6204 | Remote Similarity | NPC93662 |
0.6204 | Remote Similarity | NPC78067 |
0.6202 | Remote Similarity | NPC477963 |
0.6198 | Remote Similarity | NPC220111 |
0.6195 | Remote Similarity | NPC209802 |
0.6195 | Remote Similarity | NPC255882 |
0.6194 | Remote Similarity | NPC472458 |
0.6194 | Remote Similarity | NPC469943 |
0.6187 | Remote Similarity | NPC15249 |
0.6187 | Remote Similarity | NPC25455 |
0.6182 | Remote Similarity | NPC5604 |
0.6168 | Remote Similarity | NPC62657 |
0.6168 | Remote Similarity | NPC25511 |
0.6168 | Remote Similarity | NPC192638 |
0.6161 | Remote Similarity | NPC248886 |
0.616 | Remote Similarity | NPC36497 |
0.6159 | Remote Similarity | NPC309249 |
0.6147 | Remote Similarity | NPC307336 |
0.6147 | Remote Similarity | NPC260301 |
0.6143 | Remote Similarity | NPC122819 |
0.6142 | Remote Similarity | NPC274895 |
0.6136 | Remote Similarity | NPC96731 |
0.6134 | Remote Similarity | NPC243985 |
0.6134 | Remote Similarity | NPC280710 |
0.6132 | Remote Similarity | NPC111234 |
0.6131 | Remote Similarity | NPC96010 |
0.6131 | Remote Similarity | NPC317654 |
0.6127 | Remote Similarity | NPC297058 |
0.6127 | Remote Similarity | NPC474210 |
0.6124 | Remote Similarity | NPC80834 |
0.6124 | Remote Similarity | NPC469968 |
0.6121 | Remote Similarity | NPC473436 |
0.6116 | Remote Similarity | NPC476893 |
0.6116 | Remote Similarity | NPC240650 |
0.6115 | Remote Similarity | NPC478139 |
0.6111 | Remote Similarity | NPC230704 |
0.6111 | Remote Similarity | NPC476756 |
0.6111 | Remote Similarity | NPC244982 |
0.6111 | Remote Similarity | NPC70982 |
0.6111 | Remote Similarity | NPC103822 |
0.6106 | Remote Similarity | NPC171639 |
0.6106 | Remote Similarity | NPC211135 |
0.6106 | Remote Similarity | NPC477818 |
0.6106 | Remote Similarity | NPC110778 |
0.6106 | Remote Similarity | NPC85095 |
0.6106 | Remote Similarity | NPC216420 |
0.6099 | Remote Similarity | NPC150057 |
0.6099 | Remote Similarity | NPC147753 |
0.6094 | Remote Similarity | NPC472313 |
0.6091 | Remote Similarity | NPC102708 |
0.6091 | Remote Similarity | NPC42853 |
0.6091 | Remote Similarity | NPC472501 |
0.6091 | Remote Similarity | NPC244385 |
0.6091 | Remote Similarity | NPC6978 |
0.6091 | Remote Similarity | NPC167037 |
0.6091 | Remote Similarity | NPC138621 |
0.609 | Remote Similarity | NPC35037 |
0.6087 | Remote Similarity | NPC121981 |
0.6087 | Remote Similarity | NPC477352 |
0.6087 | Remote Similarity | NPC261266 |
0.6087 | Remote Similarity | NPC6391 |
0.6087 | Remote Similarity | NPC139724 |
0.6083 | Remote Similarity | NPC30477 |
0.6083 | Remote Similarity | NPC174117 |
0.6083 | Remote Similarity | NPC476894 |
0.608 | Remote Similarity | NPC470596 |
0.6071 | Remote Similarity | NPC23852 |
0.6071 | Remote Similarity | NPC209620 |
0.6068 | Remote Similarity | NPC101886 |
0.6068 | Remote Similarity | NPC105495 |
0.6068 | Remote Similarity | NPC470361 |
0.6066 | Remote Similarity | NPC476895 |
0.6055 | Remote Similarity | NPC91573 |
0.6053 | Remote Similarity | NPC124172 |
0.6053 | Remote Similarity | NPC86238 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476499 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 |
---|---|---|---|
0.6746 | Remote Similarity | NPD7755 | Approved |
0.6746 | Remote Similarity | NPD7754 | Approved |
0.6387 | Remote Similarity | NPD7919 | Phase 3 |
0.6387 | Remote Similarity | NPD7920 | Phase 3 |
0.6333 | Remote Similarity | NPD8088 | Phase 1 |
0.624 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.616 | Remote Similarity | NPD7333 | Discontinued |
0.6143 | Remote Similarity | NPD8449 | Approved |
0.6099 | Remote Similarity | NPD8450 | Suspended |
0.6083 | Remote Similarity | NPD7991 | Discontinued |
0.6032 | Remote Similarity | NPD6920 | Discontinued |
0.6016 | Remote Similarity | NPD8418 | Phase 2 |
0.6 | Remote Similarity | NPD8077 | Approved |
0.6 | Remote Similarity | NPD8078 | Approved |
0.5982 | Remote Similarity | NPD7525 | Registered |
0.5938 | Remote Similarity | NPD6415 | Discontinued |
0.5878 | Remote Similarity | NPD7335 | Phase 2 |
0.5878 | Remote Similarity | NPD7336 | Phase 2 |
0.5878 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD7911 | Approved |
0.5873 | Remote Similarity | NPD7912 | Approved |
0.5873 | Remote Similarity | NPD7987 | Approved |
0.5873 | Remote Similarity | NPD7986 | Approved |
0.5781 | Remote Similarity | NPD8040 | Discontinued |
0.5763 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD5771 | Approved |
0.5736 | Remote Similarity | NPD7990 | Approved |
0.5736 | Remote Similarity | NPD7989 | Approved |
0.5735 | Remote Similarity | NPD7517 | Approved |
0.5735 | Remote Similarity | NPD7519 | Approved |
0.5735 | Remote Similarity | NPD7518 | Approved |
0.5726 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8298 | Phase 2 |
0.5692 | Remote Similarity | NPD8174 | Phase 2 |
0.5678 | Remote Similarity | NPD8308 | Discontinued |
0.5676 | Remote Similarity | NPD6942 | Approved |
0.5676 | Remote Similarity | NPD7339 | Approved |
0.5625 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD6929 | Approved |
PubChem CID   | 44445682 |
ChEMBL   | CHEMBL249462 |
ZINC   |
Molecular Weight:   | 329.20 |
ALogP:   | -2.3552 |
MLogP:   | 3.22 |
XLogP:   | 0.709 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 63.93 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 4 |
# Heavy Atoms:   | 24 |