Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO22234 | Ficus carica | Species | Moraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | IC50 | = | 4500000 | nM | 15916432 |
NPT947 | Individual Protein | Carbonic anhydrase I | Homo sapiens | Ki | = | 19100 | nM | 22137345 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Ki | > | 100000 | nM | 22137345 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Ki | = | 2470 | nM | 22137345 |
NPT466 | Cell Line | U-937 | Homo sapiens | CC50 | > | 2000000 | nM | 22925447 |
NPT466 | Cell Line | U-937 | Homo sapiens | IC50 | > | 2000000 | nM | 22925447 |
NPT2701 | Organism | Pythium debaryanum | Pythium debaryanum | ED50 | = | 1140.96 | ug/ml | 16536586 |
NPT961 | Organism | Pythium aphanidermatum | Pythium aphanidermatum | ED50 | = | 450.75 | ug/ml | 16536586 |
NPT4304 | Organism | Macrophomina phaseolina | Macrophomina phaseolina | ED50 | = | 823.52 | ug/ml | 16536586 |
NPT2703 | Organism | Rhizoctonia bataticola | Rhizoctonia bataticola | ED50 | = | 1185.66 | ug/ml | 16536586 |
NPT529 | Organism | Rhizoctonia solani | Rhizoctonia solani | ED50 | = | 492.98 | ug/ml | 16536586 |
NPT722 | Organism | Athelia rolfsii | Athelia rolfsii | ED50 | = | 712.63 | ug/ml | 16536586 |
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 NPC234084 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 |
---|---|---|
0.9375 | High Similarity | NPC191643 |
0.9 | High Similarity | NPC218486 |
0.8824 | High Similarity | NPC173157 |
0.8654 | High Similarity | NPC221763 |
0.8654 | High Similarity | NPC150717 |
0.8367 | Intermediate Similarity | NPC126184 |
0.7963 | Intermediate Similarity | NPC86948 |
0.7857 | Intermediate Similarity | NPC133600 |
0.78 | Intermediate Similarity | NPC128520 |
0.7778 | Intermediate Similarity | NPC25038 |
0.7759 | Intermediate Similarity | NPC2328 |
0.7679 | Intermediate Similarity | NPC189700 |
0.7586 | Intermediate Similarity | NPC15193 |
0.75 | Intermediate Similarity | NPC275316 |
0.75 | Intermediate Similarity | NPC471556 |
0.75 | Intermediate Similarity | NPC471566 |
0.75 | Intermediate Similarity | NPC471565 |
0.7414 | Intermediate Similarity | NPC130953 |
0.7414 | Intermediate Similarity | NPC309408 |
0.7414 | Intermediate Similarity | NPC429928 |
0.74 | Intermediate Similarity | NPC270706 |
0.7377 | Intermediate Similarity | NPC315115 |
0.7321 | Intermediate Similarity | NPC51846 |
0.7255 | Intermediate Similarity | NPC128280 |
0.7213 | Intermediate Similarity | NPC476589 |
0.717 | Intermediate Similarity | NPC15789 |
0.717 | Intermediate Similarity | NPC236338 |
0.7167 | Intermediate Similarity | NPC132243 |
0.7143 | Intermediate Similarity | NPC478117 |
0.7143 | Intermediate Similarity | NPC313444 |
0.7143 | Intermediate Similarity | NPC477117 |
0.7119 | Intermediate Similarity | NPC98519 |
0.7115 | Intermediate Similarity | NPC90490 |
0.7097 | Intermediate Similarity | NPC470033 |
0.7059 | Intermediate Similarity | NPC26600 |
0.7059 | Intermediate Similarity | NPC47946 |
0.7049 | Intermediate Similarity | NPC471611 |
0.6984 | Remote Similarity | NPC132286 |
0.6981 | Remote Similarity | NPC82446 |
0.6964 | Remote Similarity | NPC478120 |
0.6935 | Remote Similarity | NPC220766 |
0.6923 | Remote Similarity | NPC315597 |
0.6923 | Remote Similarity | NPC316029 |
0.6923 | Remote Similarity | NPC315285 |
0.6923 | Remote Similarity | NPC59558 |
0.6923 | Remote Similarity | NPC197467 |
0.6875 | Remote Similarity | NPC280374 |
0.6875 | Remote Similarity | NPC238223 |
0.6852 | Remote Similarity | NPC221467 |
0.6825 | Remote Similarity | NPC191233 |
0.6818 | Remote Similarity | NPC181587 |
0.68 | Remote Similarity | NPC57923 |
0.6719 | Remote Similarity | NPC470442 |
0.6667 | Remote Similarity | NPC15912 |
0.6667 | Remote Similarity | NPC135698 |
0.6667 | Remote Similarity | NPC182794 |
0.6615 | Remote Similarity | NPC287705 |
0.6613 | Remote Similarity | NPC179087 |
0.6613 | Remote Similarity | NPC473737 |
0.6613 | Remote Similarity | NPC475073 |
0.6613 | Remote Similarity | NPC210303 |
0.6613 | Remote Similarity | NPC44343 |
0.661 | Remote Similarity | NPC474825 |
0.6567 | Remote Similarity | NPC178575 |
0.6567 | Remote Similarity | NPC133098 |
0.6562 | Remote Similarity | NPC469446 |
0.6557 | Remote Similarity | NPC79756 |
0.6545 | Remote Similarity | NPC27264 |
0.6538 | Remote Similarity | NPC6963 |
0.6538 | Remote Similarity | NPC304079 |
0.6531 | Remote Similarity | NPC200147 |
0.6515 | Remote Similarity | NPC232812 |
0.6515 | Remote Similarity | NPC470693 |
0.6508 | Remote Similarity | NPC475618 |
0.6491 | Remote Similarity | NPC327103 |
0.6429 | Remote Similarity | NPC43053 |
0.6429 | Remote Similarity | NPC470705 |
0.6429 | Remote Similarity | NPC148056 |
0.6418 | Remote Similarity | NPC37929 |
0.6418 | Remote Similarity | NPC64234 |
0.6406 | Remote Similarity | NPC133904 |
0.6406 | Remote Similarity | NPC131174 |
0.6406 | Remote Similarity | NPC273600 |
0.64 | Remote Similarity | NPC8270 |
0.6393 | Remote Similarity | NPC286189 |
0.6393 | Remote Similarity | NPC22897 |
0.6393 | Remote Similarity | NPC302564 |
0.6393 | Remote Similarity | NPC159650 |
0.6379 | Remote Similarity | NPC151761 |
0.6379 | Remote Similarity | NPC159535 |
0.6364 | Remote Similarity | NPC79220 |
0.6364 | Remote Similarity | NPC470032 |
0.6338 | Remote Similarity | NPC316324 |
0.6338 | Remote Similarity | NPC315394 |
0.6333 | Remote Similarity | NPC294938 |
0.6333 | Remote Similarity | NPC129150 |
0.6333 | Remote Similarity | NPC293437 |
0.6333 | Remote Similarity | NPC249850 |
0.6333 | Remote Similarity | NPC135863 |
0.6316 | Remote Similarity | NPC151919 |
0.6316 | Remote Similarity | NPC106531 |
0.6308 | Remote Similarity | NPC475555 |
0.6308 | Remote Similarity | NPC37382 |
0.6308 | Remote Similarity | NPC475675 |
0.6304 | Remote Similarity | NPC266979 |
0.6296 | Remote Similarity | NPC87137 |
0.6296 | Remote Similarity | NPC308331 |
0.629 | Remote Similarity | NPC26223 |
0.6286 | Remote Similarity | NPC147621 |
0.6286 | Remote Similarity | NPC206507 |
0.6286 | Remote Similarity | NPC210258 |
0.6275 | Remote Similarity | NPC221250 |
0.6271 | Remote Similarity | NPC474913 |
0.6269 | Remote Similarity | NPC473277 |
0.625 | Remote Similarity | NPC477457 |
0.625 | Remote Similarity | NPC9290 |
0.625 | Remote Similarity | NPC53136 |
0.625 | Remote Similarity | NPC308418 |
0.625 | Remote Similarity | NPC173409 |
0.625 | Remote Similarity | NPC477456 |
0.623 | Remote Similarity | NPC254095 |
0.623 | Remote Similarity | NPC223679 |
0.623 | Remote Similarity | NPC21946 |
0.6226 | Remote Similarity | NPC12907 |
0.6212 | Remote Similarity | NPC225272 |
0.619 | Remote Similarity | NPC68044 |
0.619 | Remote Similarity | NPC151648 |
0.619 | Remote Similarity | NPC14437 |
0.619 | Remote Similarity | NPC217537 |
0.619 | Remote Similarity | NPC270412 |
0.617 | Remote Similarity | NPC12889 |
0.6167 | Remote Similarity | NPC245002 |
0.6167 | Remote Similarity | NPC230296 |
0.6164 | Remote Similarity | NPC271632 |
0.6154 | Remote Similarity | NPC7940 |
0.6143 | Remote Similarity | NPC470686 |
0.6129 | Remote Similarity | NPC82465 |
0.6119 | Remote Similarity | NPC474823 |
0.6111 | Remote Similarity | NPC54996 |
0.6111 | Remote Similarity | NPC473825 |
0.6102 | Remote Similarity | NPC135537 |
0.6102 | Remote Similarity | NPC129710 |
0.6102 | Remote Similarity | NPC269615 |
0.6094 | Remote Similarity | NPC155849 |
0.6094 | Remote Similarity | NPC474729 |
0.6094 | Remote Similarity | NPC474723 |
0.6094 | Remote Similarity | NPC217940 |
0.6078 | Remote Similarity | NPC281043 |
0.6078 | Remote Similarity | NPC297608 |
0.6078 | Remote Similarity | NPC111474 |
0.6056 | Remote Similarity | NPC478194 |
0.6056 | Remote Similarity | NPC478191 |
0.6056 | Remote Similarity | NPC478195 |
0.6056 | Remote Similarity | NPC478193 |
0.6056 | Remote Similarity | NPC478196 |
0.6056 | Remote Similarity | NPC478192 |
0.6042 | Remote Similarity | NPC269641 |
0.6038 | Remote Similarity | NPC103560 |
0.6032 | Remote Similarity | NPC476585 |
0.6032 | Remote Similarity | NPC19241 |
0.6029 | Remote Similarity | NPC475004 |
0.6029 | Remote Similarity | NPC151481 |
0.6 | Remote Similarity | NPC148233 |
0.6 | Remote Similarity | NPC308457 |
0.6 | Remote Similarity | NPC226511 |
0.6 | Remote Similarity | NPC316851 |
0.6 | Remote Similarity | NPC226066 |
0.6 | Remote Similarity | NPC63598 |
0.6 | Remote Similarity | NPC25747 |
0.597 | Remote Similarity | NPC203335 |
0.597 | Remote Similarity | NPC21998 |
0.5968 | Remote Similarity | NPC474084 |
0.5965 | Remote Similarity | NPC220191 |
0.5942 | Remote Similarity | NPC202011 |
0.5921 | Remote Similarity | NPC99240 |
0.5909 | Remote Similarity | NPC282760 |
0.5909 | Remote Similarity | NPC112312 |
0.5909 | Remote Similarity | NPC470123 |
0.5909 | Remote Similarity | NPC470688 |
0.5909 | Remote Similarity | NPC96414 |
0.5902 | Remote Similarity | NPC96663 |
0.589 | Remote Similarity | NPC68156 |
0.589 | Remote Similarity | NPC471225 |
0.5882 | Remote Similarity | NPC147824 |
0.5873 | Remote Similarity | NPC222852 |
0.5873 | Remote Similarity | NPC203233 |
0.5873 | Remote Similarity | NPC97570 |
0.5862 | Remote Similarity | NPC22329 |
0.5857 | Remote Similarity | NPC316185 |
0.5849 | Remote Similarity | NPC187922 |
0.5849 | Remote Similarity | NPC41409 |
0.5846 | Remote Similarity | NPC476584 |
0.5846 | Remote Similarity | NPC68110 |
0.5846 | Remote Similarity | NPC474658 |
0.5833 | Remote Similarity | NPC474127 |
0.5833 | Remote Similarity | NPC315552 |
0.5833 | Remote Similarity | NPC151923 |
0.5833 | Remote Similarity | NPC9611 |
0.5833 | Remote Similarity | NPC329826 |
0.5833 | Remote Similarity | NPC469414 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC234084 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 |
---|---|---|---|
0.6667 | Remote Similarity | NPD4220 | Pre-registration |
0.6429 | Remote Similarity | NPD6927 | Phase 3 |
0.619 | Remote Similarity | NPD9418 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD9115 | Approved |
0.6 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD9297 | Discontinued |
0.5849 | Remote Similarity | NPD9091 | Suspended |
0.5741 | Remote Similarity | NPD9411 | Phase 1 |
0.5692 | Remote Similarity | NPD4194 | Approved |
0.5692 | Remote Similarity | NPD4191 | Approved |
0.5692 | Remote Similarity | NPD4192 | Approved |
0.5692 | Remote Similarity | NPD4193 | Approved |
PubChem CID   | 12662 |
ChEMBL   | CHEMBL372284 |
ZINC   |
Molecular Weight:   | 124.05 |
ALogP:   | 1.1769 |
MLogP:   | 2.01 |
XLogP:   | 1.046 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 9 |