Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10021 | Nerium oleander | Species | Apocynaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MIC | = | 800 | ug/ml | 8158169 |
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 NPC159845 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 |
---|---|---|
0.963 | High Similarity | NPC110884 |
0.9231 | High Similarity | NPC560 |
0.8966 | High Similarity | NPC122962 |
0.8846 | High Similarity | NPC232554 |
0.8667 | High Similarity | NPC319034 |
0.8667 | High Similarity | NPC1748 |
0.8667 | High Similarity | NPC193062 |
0.8667 | High Similarity | NPC72324 |
0.8667 | High Similarity | NPC66124 |
0.8571 | High Similarity | NPC279895 |
0.8462 | Intermediate Similarity | NPC245688 |
0.8333 | Intermediate Similarity | NPC267243 |
0.8148 | Intermediate Similarity | NPC275462 |
0.8125 | Intermediate Similarity | NPC97967 |
0.8077 | Intermediate Similarity | NPC52403 |
0.8077 | Intermediate Similarity | NPC39977 |
0.8 | Intermediate Similarity | NPC236797 |
0.8 | Intermediate Similarity | NPC163556 |
0.8 | Intermediate Similarity | NPC147096 |
0.8 | Intermediate Similarity | NPC112242 |
0.8 | Intermediate Similarity | NPC24506 |
0.8 | Intermediate Similarity | NPC225783 |
0.8 | Intermediate Similarity | NPC185041 |
0.7931 | Intermediate Similarity | NPC325345 |
0.7879 | Intermediate Similarity | NPC474914 |
0.7879 | Intermediate Similarity | NPC474392 |
0.7857 | Intermediate Similarity | NPC252154 |
0.7742 | Intermediate Similarity | NPC126915 |
0.7692 | Intermediate Similarity | NPC299484 |
0.75 | Intermediate Similarity | NPC205141 |
0.75 | Intermediate Similarity | NPC139131 |
0.75 | Intermediate Similarity | NPC272998 |
0.75 | Intermediate Similarity | NPC185538 |
0.75 | Intermediate Similarity | NPC88887 |
0.75 | Intermediate Similarity | NPC213764 |
0.75 | Intermediate Similarity | NPC291158 |
0.75 | Intermediate Similarity | NPC181516 |
0.7333 | Intermediate Similarity | NPC52362 |
0.7308 | Intermediate Similarity | NPC294703 |
0.7273 | Intermediate Similarity | NPC283682 |
0.7143 | Intermediate Similarity | NPC199270 |
0.7 | Intermediate Similarity | NPC276332 |
0.7 | Intermediate Similarity | NPC39869 |
0.697 | Remote Similarity | NPC152759 |
0.697 | Remote Similarity | NPC12231 |
0.6923 | Remote Similarity | NPC163707 |
0.6897 | Remote Similarity | NPC140389 |
0.6897 | Remote Similarity | NPC190797 |
0.6774 | Remote Similarity | NPC223195 |
0.6757 | Remote Similarity | NPC471282 |
0.6667 | Remote Similarity | NPC149070 |
0.6667 | Remote Similarity | NPC46248 |
0.6667 | Remote Similarity | NPC127074 |
0.6667 | Remote Similarity | NPC177022 |
0.6667 | Remote Similarity | NPC187058 |
0.6667 | Remote Similarity | NPC182541 |
0.6667 | Remote Similarity | NPC197207 |
0.6667 | Remote Similarity | NPC249801 |
0.6667 | Remote Similarity | NPC74352 |
0.6571 | Remote Similarity | NPC66052 |
0.6571 | Remote Similarity | NPC293908 |
0.6571 | Remote Similarity | NPC86412 |
0.6571 | Remote Similarity | NPC192065 |
0.6571 | Remote Similarity | NPC325034 |
0.6552 | Remote Similarity | NPC114270 |
0.6552 | Remote Similarity | NPC256186 |
0.6552 | Remote Similarity | NPC23071 |
0.6538 | Remote Similarity | NPC311000 |
0.65 | Remote Similarity | NPC144891 |
0.6452 | Remote Similarity | NPC320326 |
0.6429 | Remote Similarity | NPC219266 |
0.6429 | Remote Similarity | NPC110344 |
0.6429 | Remote Similarity | NPC88839 |
0.641 | Remote Similarity | NPC474361 |
0.6389 | Remote Similarity | NPC61665 |
0.6341 | Remote Similarity | NPC62014 |
0.6341 | Remote Similarity | NPC469781 |
0.6341 | Remote Similarity | NPC215358 |
0.6316 | Remote Similarity | NPC221022 |
0.6286 | Remote Similarity | NPC227267 |
0.6286 | Remote Similarity | NPC139569 |
0.625 | Remote Similarity | NPC301586 |
0.625 | Remote Similarity | NPC33415 |
0.619 | Remote Similarity | NPC473914 |
0.6098 | Remote Similarity | NPC76051 |
0.6061 | Remote Similarity | NPC270334 |
0.6053 | Remote Similarity | NPC197039 |
0.6047 | Remote Similarity | NPC84030 |
0.6047 | Remote Similarity | NPC328497 |
0.6047 | Remote Similarity | NPC198540 |
0.6047 | Remote Similarity | NPC147343 |
0.6047 | Remote Similarity | NPC223468 |
0.6047 | Remote Similarity | NPC176309 |
0.6047 | Remote Similarity | NPC8597 |
0.6047 | Remote Similarity | NPC287550 |
0.6047 | Remote Similarity | NPC324004 |
0.6 | Remote Similarity | NPC157340 |
0.6 | Remote Similarity | NPC87529 |
0.6 | Remote Similarity | NPC94144 |
0.5952 | Remote Similarity | NPC240994 |
0.5946 | Remote Similarity | NPC328441 |
0.5946 | Remote Similarity | NPC79544 |
0.5938 | Remote Similarity | NPC272307 |
0.5909 | Remote Similarity | NPC131770 |
0.5909 | Remote Similarity | NPC121062 |
0.5909 | Remote Similarity | NPC29222 |
0.5909 | Remote Similarity | NPC200618 |
0.5909 | Remote Similarity | NPC96966 |
0.5909 | Remote Similarity | NPC106872 |
0.5778 | Remote Similarity | NPC304162 |
0.5758 | Remote Similarity | NPC238135 |
0.575 | Remote Similarity | NPC99573 |
0.575 | Remote Similarity | NPC102981 |
0.575 | Remote Similarity | NPC266553 |
0.575 | Remote Similarity | NPC152008 |
0.575 | Remote Similarity | NPC88278 |
0.575 | Remote Similarity | NPC111882 |
0.575 | Remote Similarity | NPC227707 |
0.575 | Remote Similarity | NPC160261 |
0.575 | Remote Similarity | NPC469759 |
0.575 | Remote Similarity | NPC320331 |
0.5714 | Remote Similarity | NPC236761 |
0.5714 | Remote Similarity | NPC252978 |
0.5714 | Remote Similarity | NPC272426 |
0.5676 | Remote Similarity | NPC250870 |
0.5676 | Remote Similarity | NPC191084 |
0.5676 | Remote Similarity | NPC168052 |
0.5676 | Remote Similarity | NPC317203 |
0.5652 | Remote Similarity | NPC90904 |
0.5641 | Remote Similarity | NPC40434 |
0.5641 | Remote Similarity | NPC34873 |
0.5625 | Remote Similarity | NPC474048 |
0.5625 | Remote Similarity | NPC128335 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC159845 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 |
---|---|---|---|
0.7931 | Intermediate Similarity | NPD8988 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD2272 | Approved |
0.75 | Intermediate Similarity | NPD5383 | Approved |
0.6923 | Remote Similarity | NPD8224 | Approved |
0.6667 | Remote Similarity | NPD8814 | Phase 3 |
0.6571 | Remote Similarity | NPD9053 | Approved |
0.6571 | Remote Similarity | NPD9052 | Approved |
0.6571 | Remote Similarity | NPD9051 | Approved |
0.6552 | Remote Similarity | NPD8225 | Phase 3 |
0.6538 | Remote Similarity | NPD8223 | Approved |
0.625 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD8976 | Approved |
0.6053 | Remote Similarity | NPD8977 | Phase 3 |
0.6047 | Remote Similarity | NPD384 | Approved |
0.6047 | Remote Similarity | NPD385 | Approved |
0.6 | Remote Similarity | NPD8226 | Approved |
0.575 | Remote Similarity | NPD7536 | Approved |
0.575 | Remote Similarity | NPD8995 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD8996 | Phase 3 |
0.5714 | Remote Similarity | NPD908 | Approved |
0.5714 | Remote Similarity | NPD907 | Approved |
0.5714 | Remote Similarity | NPD1461 | Approved |
0.5652 | Remote Similarity | NPD3214 | Discontinued |
PubChem CID   | 11520 |
ChEMBL   | CHEMBL452729 |
ZINC   |
Molecular Weight:   | 116.12 |
ALogP:   | -1.5601 |
MLogP:   | 2.12 |
XLogP:   | 2.238 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 8 |