Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO20949 | Paederiae scandentis herba | NA | NA | NA | TCMSP* | |||
NPO29679 | Lycii fructus | NA | NA | NA | TCMSP* | |||
NPO7840 | Herbahypericiperforati | NA | NA | NA | TCMSP* | |||
NPO18129 | Notopterygii rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO29560 | Carthami flos | NA | NA | NA | TCMSP* | |||
NPO29549 | Siegesbeckiae herba | NA | NA | NA | TCMSP* | |||
NPO2392 | Hansenia weberbaueriana | Species | Apiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ki | = | 2000000 | nM | 17149871 |
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 NPC51846 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 |
---|---|---|
0.8305 | Intermediate Similarity | NPC98519 |
0.8 | Intermediate Similarity | NPC309408 |
0.8 | Intermediate Similarity | NPC130953 |
0.7966 | Intermediate Similarity | NPC189700 |
0.7931 | Intermediate Similarity | NPC150717 |
0.7903 | Intermediate Similarity | NPC471611 |
0.7895 | Intermediate Similarity | NPC218486 |
0.7742 | Intermediate Similarity | NPC2328 |
0.7727 | Intermediate Similarity | NPC59558 |
0.7627 | Intermediate Similarity | NPC221763 |
0.7544 | Intermediate Similarity | NPC191643 |
0.75 | Intermediate Similarity | NPC471566 |
0.75 | Intermediate Similarity | NPC471565 |
0.75 | Intermediate Similarity | NPC273600 |
0.7377 | Intermediate Similarity | NPC254095 |
0.7368 | Intermediate Similarity | NPC43053 |
0.7321 | Intermediate Similarity | NPC126184 |
0.7321 | Intermediate Similarity | NPC234084 |
0.7273 | Intermediate Similarity | NPC132286 |
0.7231 | Intermediate Similarity | NPC471556 |
0.7213 | Intermediate Similarity | NPC249850 |
0.7213 | Intermediate Similarity | NPC293437 |
0.7213 | Intermediate Similarity | NPC135863 |
0.7193 | Intermediate Similarity | NPC15789 |
0.7193 | Intermediate Similarity | NPC221467 |
0.7188 | Intermediate Similarity | NPC473737 |
0.7183 | Intermediate Similarity | NPC470705 |
0.7167 | Intermediate Similarity | NPC173157 |
0.7164 | Intermediate Similarity | NPC238223 |
0.7121 | Intermediate Similarity | NPC470033 |
0.7121 | Intermediate Similarity | NPC475555 |
0.7121 | Intermediate Similarity | NPC475675 |
0.7097 | Intermediate Similarity | NPC223679 |
0.7018 | Intermediate Similarity | NPC122212 |
0.7018 | Intermediate Similarity | NPC137419 |
0.7 | Intermediate Similarity | NPC316851 |
0.7 | Intermediate Similarity | NPC478120 |
0.6984 | Remote Similarity | NPC302564 |
0.6984 | Remote Similarity | NPC82465 |
0.697 | Remote Similarity | NPC7940 |
0.6964 | Remote Similarity | NPC87137 |
0.6935 | Remote Similarity | NPC294938 |
0.6935 | Remote Similarity | NPC129150 |
0.6912 | Remote Similarity | NPC477117 |
0.6897 | Remote Similarity | NPC275316 |
0.6866 | Remote Similarity | NPC37382 |
0.6857 | Remote Similarity | NPC178575 |
0.6842 | Remote Similarity | NPC128520 |
0.6833 | Remote Similarity | NPC116366 |
0.6825 | Remote Similarity | NPC21946 |
0.6806 | Remote Similarity | NPC478195 |
0.6806 | Remote Similarity | NPC478194 |
0.6806 | Remote Similarity | NPC478193 |
0.6806 | Remote Similarity | NPC478196 |
0.6806 | Remote Similarity | NPC315552 |
0.6806 | Remote Similarity | NPC478192 |
0.6806 | Remote Similarity | NPC478191 |
0.6769 | Remote Similarity | NPC15193 |
0.6721 | Remote Similarity | NPC135537 |
0.6719 | Remote Similarity | NPC133600 |
0.6716 | Remote Similarity | NPC476589 |
0.6716 | Remote Similarity | NPC96414 |
0.6714 | Remote Similarity | NPC202011 |
0.6714 | Remote Similarity | NPC315597 |
0.6714 | Remote Similarity | NPC315285 |
0.6667 | Remote Similarity | NPC475073 |
0.6667 | Remote Similarity | NPC287705 |
0.6667 | Remote Similarity | NPC68110 |
0.6622 | Remote Similarity | NPC315394 |
0.662 | Remote Similarity | NPC316185 |
0.6618 | Remote Similarity | NPC146811 |
0.6618 | Remote Similarity | NPC315115 |
0.6618 | Remote Similarity | NPC201356 |
0.661 | Remote Similarity | NPC236338 |
0.6604 | Remote Similarity | NPC298413 |
0.6575 | Remote Similarity | NPC161038 |
0.6571 | Remote Similarity | NPC151481 |
0.6545 | Remote Similarity | NPC41409 |
0.6538 | Remote Similarity | NPC107877 |
0.6508 | Remote Similarity | NPC86948 |
0.6508 | Remote Similarity | NPC230296 |
0.6491 | Remote Similarity | NPC158853 |
0.6481 | Remote Similarity | NPC8270 |
0.6462 | Remote Similarity | NPC97570 |
0.6441 | Remote Similarity | NPC313553 |
0.6438 | Remote Similarity | NPC315843 |
0.6429 | Remote Similarity | NPC474823 |
0.6429 | Remote Similarity | NPC63873 |
0.6429 | Remote Similarity | NPC313444 |
0.6418 | Remote Similarity | NPC210303 |
0.6418 | Remote Similarity | NPC44343 |
0.6418 | Remote Similarity | NPC179087 |
0.64 | Remote Similarity | NPC275530 |
0.6389 | Remote Similarity | NPC293114 |
0.6364 | Remote Similarity | NPC476585 |
0.6364 | Remote Similarity | NPC221250 |
0.6364 | Remote Similarity | NPC429928 |
0.6349 | Remote Similarity | NPC478117 |
0.6338 | Remote Similarity | NPC475004 |
0.6324 | Remote Similarity | NPC475618 |
0.6301 | Remote Similarity | NPC284006 |
0.6286 | Remote Similarity | NPC122627 |
0.6269 | Remote Similarity | NPC263732 |
0.6269 | Remote Similarity | NPC26810 |
0.625 | Remote Similarity | NPC472808 |
0.625 | Remote Similarity | NPC324224 |
0.625 | Remote Similarity | NPC316029 |
0.625 | Remote Similarity | NPC476037 |
0.6232 | Remote Similarity | NPC19769 |
0.6232 | Remote Similarity | NPC282760 |
0.6232 | Remote Similarity | NPC182794 |
0.6232 | Remote Similarity | NPC470123 |
0.6216 | Remote Similarity | NPC107654 |
0.6216 | Remote Similarity | NPC470686 |
0.6212 | Remote Similarity | NPC86789 |
0.6207 | Remote Similarity | NPC270706 |
0.6197 | Remote Similarity | NPC79220 |
0.6197 | Remote Similarity | NPC280374 |
0.619 | Remote Similarity | NPC474127 |
0.6184 | Remote Similarity | NPC475711 |
0.6164 | Remote Similarity | NPC133098 |
0.6154 | Remote Similarity | NPC283502 |
0.6133 | Remote Similarity | NPC260396 |
0.6125 | Remote Similarity | NPC16488 |
0.6119 | Remote Similarity | NPC26223 |
0.6119 | Remote Similarity | NPC79756 |
0.6111 | Remote Similarity | NPC473277 |
0.6111 | Remote Similarity | NPC475982 |
0.6111 | Remote Similarity | NPC63598 |
0.6104 | Remote Similarity | NPC28049 |
0.6102 | Remote Similarity | NPC128280 |
0.6098 | Remote Similarity | NPC315395 |
0.6098 | Remote Similarity | NPC316426 |
0.6094 | Remote Similarity | NPC25038 |
0.6087 | Remote Similarity | NPC470808 |
0.6081 | Remote Similarity | NPC12815 |
0.6081 | Remote Similarity | NPC329890 |
0.6081 | Remote Similarity | NPC215745 |
0.6081 | Remote Similarity | NPC238948 |
0.6061 | Remote Similarity | NPC471619 |
0.6061 | Remote Similarity | NPC474084 |
0.6056 | Remote Similarity | NPC225272 |
0.6053 | Remote Similarity | NPC203277 |
0.6053 | Remote Similarity | NPC127118 |
0.6053 | Remote Similarity | NPC209113 |
0.6034 | Remote Similarity | NPC6963 |
0.6034 | Remote Similarity | NPC304079 |
0.6029 | Remote Similarity | NPC55376 |
0.6027 | Remote Similarity | NPC476012 |
0.6 | Remote Similarity | NPC476590 |
0.6 | Remote Similarity | NPC114727 |
0.6 | Remote Similarity | NPC313677 |
0.6 | Remote Similarity | NPC147824 |
0.6 | Remote Similarity | NPC476586 |
0.6 | Remote Similarity | NPC133904 |
0.5974 | Remote Similarity | NPC316324 |
0.597 | Remote Similarity | NPC322186 |
0.597 | Remote Similarity | NPC159650 |
0.597 | Remote Similarity | NPC22897 |
0.5965 | Remote Similarity | NPC57923 |
0.5965 | Remote Similarity | NPC169098 |
0.5962 | Remote Similarity | NPC98098 |
0.5962 | Remote Similarity | NPC224651 |
0.5952 | Remote Similarity | NPC26078 |
0.5952 | Remote Similarity | NPC473658 |
0.5949 | Remote Similarity | NPC121374 |
0.5942 | Remote Similarity | NPC132243 |
0.5942 | Remote Similarity | NPC476584 |
0.5938 | Remote Similarity | NPC129710 |
0.5932 | Remote Similarity | NPC26600 |
0.5932 | Remote Similarity | NPC47946 |
0.593 | Remote Similarity | NPC32552 |
0.5926 | Remote Similarity | NPC44261 |
0.5926 | Remote Similarity | NPC211455 |
0.5926 | Remote Similarity | NPC188717 |
0.5926 | Remote Similarity | NPC315559 |
0.5921 | Remote Similarity | NPC68624 |
0.5915 | Remote Similarity | NPC276299 |
0.5909 | Remote Similarity | NPC71755 |
0.5904 | Remote Similarity | NPC211892 |
0.5902 | Remote Similarity | NPC135698 |
0.5897 | Remote Similarity | NPC473471 |
0.5897 | Remote Similarity | NPC279532 |
0.5897 | Remote Similarity | NPC264391 |
0.5893 | Remote Similarity | NPC2741 |
0.5893 | Remote Similarity | NPC281043 |
0.589 | Remote Similarity | NPC236208 |
0.589 | Remote Similarity | NPC470693 |
0.5882 | Remote Similarity | NPC51358 |
0.5882 | Remote Similarity | NPC307092 |
0.5882 | Remote Similarity | NPC305973 |
0.5867 | Remote Similarity | NPC185186 |
0.5867 | Remote Similarity | NPC329914 |
0.5867 | Remote Similarity | NPC327383 |
0.5862 | Remote Similarity | NPC282644 |
0.5862 | Remote Similarity | NPC29798 |
0.5862 | Remote Similarity | NPC40805 |
0.5857 | Remote Similarity | NPC25747 |
0.5857 | Remote Similarity | NPC308457 |
0.5857 | Remote Similarity | NPC148233 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC51846 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 |
---|---|---|---|
0.6491 | Remote Similarity | NPD9090 | Phase 3 |
0.6441 | Remote Similarity | NPD4220 | Pre-registration |
0.6184 | Remote Similarity | NPD4756 | Discovery |
0.614 | Remote Similarity | NPD9411 | Phase 1 |
0.5965 | Remote Similarity | NPD9091 | Suspended |
0.5965 | Remote Similarity | NPD9297 | Discontinued |
0.5962 | Remote Similarity | NPD8573 | Approved |
0.5926 | Remote Similarity | NPD9115 | Approved |
0.5797 | Remote Similarity | NPD9418 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6927 | Phase 3 |
0.5672 | Remote Similarity | NPD9118 | Approved |
PubChem CID   | 68141 |
ChEMBL   | CHEMBL216734 |
ZINC   |
Molecular Weight:   | 140.01 |
ALogP:   | -0.2186 |
MLogP:   | 1.68 |
XLogP:   | -0.049 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 63.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 10 |