Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[8412012] |
||
NPO4011 | Chlamydomonas reinhardtii | Species | Chlamydomonadaceae | Eukaryota |
PMID[25515814] |
|||
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[18502700] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[168632] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT664 | Protein Family | Histone deacetylase | Homo sapiens | Activity | = | 96 | % | 19520580 |
NPT873 | Individual Protein | Monocarboxylate transporter 2 | Homo sapiens | Activity | = | 10 | % | 9786900 |
NPT706 | Individual Protein | Monocarboxylate transporter 1 | Rattus norvegicus | Activity | = | 40 | % | 9786900 |
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 NPC5505 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 |
---|---|---|
0.9167 | High Similarity | NPC316217 |
0.9167 | High Similarity | NPC222792 |
0.8788 | High Similarity | NPC307739 |
0.8788 | High Similarity | NPC76217 |
0.8571 | High Similarity | NPC325165 |
0.8333 | Intermediate Similarity | NPC103612 |
0.8333 | Intermediate Similarity | NPC24967 |
0.825 | Intermediate Similarity | NPC319680 |
0.8205 | Intermediate Similarity | NPC35661 |
0.8056 | Intermediate Similarity | NPC191084 |
0.8056 | Intermediate Similarity | NPC250870 |
0.8056 | Intermediate Similarity | NPC168052 |
0.775 | Intermediate Similarity | NPC192402 |
0.775 | Intermediate Similarity | NPC97444 |
0.775 | Intermediate Similarity | NPC100742 |
0.775 | Intermediate Similarity | NPC19044 |
0.775 | Intermediate Similarity | NPC121018 |
0.775 | Intermediate Similarity | NPC24751 |
0.7714 | Intermediate Similarity | NPC212144 |
0.7647 | Intermediate Similarity | NPC270334 |
0.7647 | Intermediate Similarity | NPC292641 |
0.7619 | Intermediate Similarity | NPC242655 |
0.7619 | Intermediate Similarity | NPC38891 |
0.75 | Intermediate Similarity | NPC320331 |
0.7429 | Intermediate Similarity | NPC198126 |
0.7368 | Intermediate Similarity | NPC159089 |
0.7297 | Intermediate Similarity | NPC127142 |
0.7297 | Intermediate Similarity | NPC307027 |
0.7273 | Intermediate Similarity | NPC149209 |
0.7105 | Intermediate Similarity | NPC316685 |
0.697 | Remote Similarity | NPC165122 |
0.697 | Remote Similarity | NPC140389 |
0.6957 | Remote Similarity | NPC328954 |
0.6765 | Remote Similarity | NPC286233 |
0.6757 | Remote Similarity | NPC261351 |
0.675 | Remote Similarity | NPC109026 |
0.6744 | Remote Similarity | NPC228782 |
0.6744 | Remote Similarity | NPC259982 |
0.6744 | Remote Similarity | NPC313565 |
0.6667 | Remote Similarity | NPC61066 |
0.6667 | Remote Similarity | NPC174368 |
0.6667 | Remote Similarity | NPC122768 |
0.6667 | Remote Similarity | NPC114270 |
0.6667 | Remote Similarity | NPC104195 |
0.6667 | Remote Similarity | NPC317203 |
0.6667 | Remote Similarity | NPC151140 |
0.6585 | Remote Similarity | NPC38930 |
0.6571 | Remote Similarity | NPC143211 |
0.6571 | Remote Similarity | NPC320326 |
0.6531 | Remote Similarity | NPC277878 |
0.6512 | Remote Similarity | NPC322956 |
0.6512 | Remote Similarity | NPC325307 |
0.6486 | Remote Similarity | NPC320981 |
0.6486 | Remote Similarity | NPC5934 |
0.6471 | Remote Similarity | NPC88887 |
0.6471 | Remote Similarity | NPC28246 |
0.6444 | Remote Similarity | NPC270088 |
0.6429 | Remote Similarity | NPC329545 |
0.641 | Remote Similarity | NPC7814 |
0.64 | Remote Similarity | NPC19676 |
0.64 | Remote Similarity | NPC196612 |
0.64 | Remote Similarity | NPC323401 |
0.6389 | Remote Similarity | NPC33415 |
0.6389 | Remote Similarity | NPC88135 |
0.6389 | Remote Similarity | NPC301586 |
0.6389 | Remote Similarity | NPC316272 |
0.6341 | Remote Similarity | NPC317945 |
0.6316 | Remote Similarity | NPC280532 |
0.6286 | Remote Similarity | NPC166804 |
0.6286 | Remote Similarity | NPC127134 |
0.6286 | Remote Similarity | NPC230726 |
0.6286 | Remote Similarity | NPC314668 |
0.6275 | Remote Similarity | NPC6883 |
0.625 | Remote Similarity | NPC46254 |
0.6222 | Remote Similarity | NPC318951 |
0.6222 | Remote Similarity | NPC320624 |
0.6176 | Remote Similarity | NPC157340 |
0.6176 | Remote Similarity | NPC245688 |
0.617 | Remote Similarity | NPC328497 |
0.617 | Remote Similarity | NPC324004 |
0.6154 | Remote Similarity | NPC217218 |
0.6154 | Remote Similarity | NPC175342 |
0.6111 | Remote Similarity | NPC272307 |
0.6098 | Remote Similarity | NPC1037 |
0.6098 | Remote Similarity | NPC321699 |
0.6061 | Remote Similarity | NPC181153 |
0.6061 | Remote Similarity | NPC299484 |
0.6053 | Remote Similarity | NPC21374 |
0.6053 | Remote Similarity | NPC302611 |
0.6042 | Remote Similarity | NPC131770 |
0.6042 | Remote Similarity | NPC172086 |
0.6042 | Remote Similarity | NPC247546 |
0.6042 | Remote Similarity | NPC106872 |
0.6042 | Remote Similarity | NPC200618 |
0.6 | Remote Similarity | NPC140229 |
0.6 | Remote Similarity | NPC100096 |
0.6 | Remote Similarity | NPC82694 |
0.6 | Remote Similarity | NPC232554 |
0.6 | Remote Similarity | NPC3693 |
0.6 | Remote Similarity | NPC32280 |
0.6 | Remote Similarity | NPC41485 |
0.5962 | Remote Similarity | NPC23155 |
0.5962 | Remote Similarity | NPC469937 |
0.5962 | Remote Similarity | NPC320588 |
0.5962 | Remote Similarity | NPC53463 |
0.5952 | Remote Similarity | NPC206924 |
0.5946 | Remote Similarity | NPC236709 |
0.5926 | Remote Similarity | NPC220922 |
0.5926 | Remote Similarity | NPC293692 |
0.5918 | Remote Similarity | NPC93888 |
0.5918 | Remote Similarity | NPC270805 |
0.5918 | Remote Similarity | NPC304162 |
0.5897 | Remote Similarity | NPC187058 |
0.5897 | Remote Similarity | NPC182541 |
0.5897 | Remote Similarity | NPC197207 |
0.5897 | Remote Similarity | NPC281883 |
0.5897 | Remote Similarity | NPC12904 |
0.5897 | Remote Similarity | NPC149070 |
0.5897 | Remote Similarity | NPC127074 |
0.5882 | Remote Similarity | NPC8187 |
0.5882 | Remote Similarity | NPC39977 |
0.5833 | Remote Similarity | NPC560 |
0.5833 | Remote Similarity | NPC128335 |
0.5814 | Remote Similarity | NPC128713 |
0.58 | Remote Similarity | NPC90904 |
0.58 | Remote Similarity | NPC27359 |
0.58 | Remote Similarity | NPC198398 |
0.58 | Remote Similarity | NPC295832 |
0.5789 | Remote Similarity | NPC180423 |
0.5789 | Remote Similarity | NPC232172 |
0.5778 | Remote Similarity | NPC474361 |
0.5769 | Remote Similarity | NPC65985 |
0.5758 | Remote Similarity | NPC294703 |
0.575 | Remote Similarity | NPC18224 |
0.575 | Remote Similarity | NPC286695 |
0.575 | Remote Similarity | NPC108238 |
0.575 | Remote Similarity | NPC125575 |
0.575 | Remote Similarity | NPC41007 |
0.575 | Remote Similarity | NPC168714 |
0.575 | Remote Similarity | NPC35371 |
0.575 | Remote Similarity | NPC328710 |
0.575 | Remote Similarity | NPC178643 |
0.5741 | Remote Similarity | NPC198377 |
0.5714 | Remote Similarity | NPC110107 |
0.5714 | Remote Similarity | NPC323945 |
0.5714 | Remote Similarity | NPC327542 |
0.5714 | Remote Similarity | NPC155263 |
0.5714 | Remote Similarity | NPC313405 |
0.5686 | Remote Similarity | NPC470411 |
0.5682 | Remote Similarity | NPC94368 |
0.5676 | Remote Similarity | NPC248233 |
0.5652 | Remote Similarity | NPC144829 |
0.5636 | Remote Similarity | NPC323436 |
0.5636 | Remote Similarity | NPC327895 |
0.5636 | Remote Similarity | NPC43169 |
0.5636 | Remote Similarity | NPC93861 |
0.5636 | Remote Similarity | NPC112224 |
0.5625 | Remote Similarity | NPC133771 |
0.5625 | Remote Similarity | NPC12438 |
0.5625 | Remote Similarity | NPC30195 |
0.5614 | Remote Similarity | NPC320296 |
0.561 | Remote Similarity | NPC227267 |
0.561 | Remote Similarity | NPC154396 |
0.56 | Remote Similarity | NPC293378 |
0.56 | Remote Similarity | NPC26253 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC5505 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 |
---|---|---|---|
0.8788 | High Similarity | NPD8202 | Approved |
0.8788 | High Similarity | NPD8205 | Approved |
0.8485 | Intermediate Similarity | NPD8206 | Approved |
0.8485 | Intermediate Similarity | NPD54 | Approved |
0.8485 | Intermediate Similarity | NPD8203 | Approved |
0.8485 | Intermediate Similarity | NPD55 | Approved |
0.8485 | Intermediate Similarity | NPD8204 | Approved |
0.775 | Intermediate Similarity | NPD8602 | Approved |
0.775 | Intermediate Similarity | NPD8599 | Approved |
0.775 | Intermediate Similarity | NPD8598 | Approved |
0.775 | Intermediate Similarity | NPD8605 | Approved |
0.775 | Intermediate Similarity | NPD8603 | Approved |
0.775 | Intermediate Similarity | NPD8601 | Approved |
0.775 | Intermediate Similarity | NPD8600 | Approved |
0.775 | Intermediate Similarity | NPD8604 | Approved |
0.7429 | Intermediate Similarity | NPD8618 | Approved |
0.7143 | Intermediate Similarity | NPD8619 | Approved |
0.7143 | Intermediate Similarity | NPD8617 | Approved |
0.6765 | Remote Similarity | NPD8189 | Approved |
0.6667 | Remote Similarity | NPD8225 | Phase 3 |
0.6531 | Remote Similarity | NPD9009 | Approved |
0.6531 | Remote Similarity | NPD9011 | Approved |
0.6531 | Remote Similarity | NPD66 | Approved |
0.6531 | Remote Similarity | NPD9007 | Approved |
0.6531 | Remote Similarity | NPD72 | Approved |
0.6531 | Remote Similarity | NPD9008 | Approved |
0.6531 | Remote Similarity | NPD9010 | Approved |
0.6531 | Remote Similarity | NPD64 | Approved |
0.6531 | Remote Similarity | NPD65 | Approved |
0.6531 | Remote Similarity | NPD8960 | Approved |
0.6486 | Remote Similarity | NPD8856 | Phase 2 |
0.6486 | Remote Similarity | NPD8590 | Approved |
0.641 | Remote Similarity | NPD8857 | Approved |
0.6389 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6286 | Remote Similarity | NPD8989 | Approved |
0.6176 | Remote Similarity | NPD8226 | Approved |
0.6061 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD8201 | Phase 2 |
0.6061 | Remote Similarity | NPD8615 | Phase 2 |
0.6042 | Remote Similarity | NPD9004 | Approved |
0.6042 | Remote Similarity | NPD9003 | Clinical (unspecified phase) |
0.6042 | Remote Similarity | NPD9005 | Phase 3 |
0.6038 | Remote Similarity | NPD73 | Approved |
0.6 | Remote Similarity | NPD8207 | Approved |
0.5962 | Remote Similarity | NPD3728 | Approved |
0.5962 | Remote Similarity | NPD3730 | Approved |
0.5946 | Remote Similarity | NPD8594 | Approved |
0.5946 | Remote Similarity | NPD8593 | Approved |
0.5926 | Remote Similarity | NPD8959 | Approved |
0.5918 | Remote Similarity | NPD8624 | Approved |
0.5897 | Remote Similarity | NPD9636 | Phase 2 |
0.5897 | Remote Similarity | NPD8814 | Phase 3 |
0.5818 | Remote Similarity | NPD6109 | Phase 1 |
0.58 | Remote Similarity | NPD9226 | Approved |
0.58 | Remote Similarity | NPD9225 | Phase 3 |
0.5686 | Remote Similarity | NPD9002 | Approved |
0.5686 | Remote Similarity | NPD9001 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD106 | Approved |
0.5676 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD900 | Approved |
0.56 | Remote Similarity | NPD71 | Approved |
0.56 | Remote Similarity | NPD9126 | Approved |
0.56 | Remote Similarity | NPD9129 | Approved |
PubChem CID   | 11266 |
ChEMBL   | CHEMBL567588 |
ZINC   |
Molecular Weight:   | 104.05 |
ALogP:   | -1.0939 |
MLogP:   | 1.57 |
XLogP:   | -0.233 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |