Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
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* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 54947.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 55957.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 78369.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27539.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24995.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48972.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27806.6 | nM | PubChem BioAssay data set |
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 NPC227267 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 |
---|---|---|
0.7949 | Intermediate Similarity | NPC320189 |
0.775 | Intermediate Similarity | NPC29721 |
0.7647 | Intermediate Similarity | NPC149070 |
0.7647 | Intermediate Similarity | NPC127074 |
0.7647 | Intermediate Similarity | NPC197207 |
0.7647 | Intermediate Similarity | NPC182541 |
0.7647 | Intermediate Similarity | NPC187058 |
0.75 | Intermediate Similarity | NPC272307 |
0.7436 | Intermediate Similarity | NPC266553 |
0.7297 | Intermediate Similarity | NPC313405 |
0.7209 | Intermediate Similarity | NPC252918 |
0.7209 | Intermediate Similarity | NPC230789 |
0.7188 | Intermediate Similarity | NPC128335 |
0.7188 | Intermediate Similarity | NPC252154 |
0.7097 | Intermediate Similarity | NPC199270 |
0.7073 | Intermediate Similarity | NPC134252 |
0.7073 | Intermediate Similarity | NPC317182 |
0.7073 | Intermediate Similarity | NPC291502 |
0.7073 | Intermediate Similarity | NPC213159 |
0.7073 | Intermediate Similarity | NPC86191 |
0.7073 | Intermediate Similarity | NPC298699 |
0.7045 | Intermediate Similarity | NPC112363 |
0.7027 | Intermediate Similarity | NPC293908 |
0.7027 | Intermediate Similarity | NPC192065 |
0.7027 | Intermediate Similarity | NPC86412 |
0.7027 | Intermediate Similarity | NPC325034 |
0.7027 | Intermediate Similarity | NPC66052 |
0.697 | Remote Similarity | NPC320326 |
0.6905 | Remote Similarity | NPC320240 |
0.6905 | Remote Similarity | NPC70756 |
0.6889 | Remote Similarity | NPC82512 |
0.6889 | Remote Similarity | NPC46254 |
0.6875 | Remote Similarity | NPC140389 |
0.6875 | Remote Similarity | NPC304786 |
0.6765 | Remote Similarity | NPC301586 |
0.6765 | Remote Similarity | NPC238135 |
0.6765 | Remote Similarity | NPC33415 |
0.6739 | Remote Similarity | NPC329128 |
0.6739 | Remote Similarity | NPC322158 |
0.6739 | Remote Similarity | NPC323574 |
0.6667 | Remote Similarity | NPC560 |
0.6596 | Remote Similarity | NPC329095 |
0.6591 | Remote Similarity | NPC285364 |
0.6591 | Remote Similarity | NPC289758 |
0.6591 | Remote Similarity | NPC21209 |
0.6591 | Remote Similarity | NPC69445 |
0.6591 | Remote Similarity | NPC199857 |
0.6591 | Remote Similarity | NPC92246 |
0.6591 | Remote Similarity | NPC176017 |
0.6591 | Remote Similarity | NPC73906 |
0.6591 | Remote Similarity | NPC255377 |
0.6591 | Remote Similarity | NPC165846 |
0.6562 | Remote Similarity | NPC318912 |
0.6562 | Remote Similarity | NPC114270 |
0.6562 | Remote Similarity | NPC237965 |
0.6562 | Remote Similarity | NPC157340 |
0.6562 | Remote Similarity | NPC245688 |
0.6458 | Remote Similarity | NPC320043 |
0.6458 | Remote Similarity | NPC103672 |
0.6444 | Remote Similarity | NPC321087 |
0.6444 | Remote Similarity | NPC88638 |
0.6444 | Remote Similarity | NPC277475 |
0.6364 | Remote Similarity | NPC213764 |
0.6364 | Remote Similarity | NPC207656 |
0.6364 | Remote Similarity | NPC88887 |
0.6364 | Remote Similarity | NPC232554 |
0.6364 | Remote Similarity | NPC107091 |
0.6327 | Remote Similarity | NPC323361 |
0.6327 | Remote Similarity | NPC130683 |
0.6304 | Remote Similarity | NPC14144 |
0.6286 | Remote Similarity | NPC159845 |
0.6286 | Remote Similarity | NPC325345 |
0.625 | Remote Similarity | NPC52403 |
0.625 | Remote Similarity | NPC39977 |
0.619 | Remote Similarity | NPC111882 |
0.619 | Remote Similarity | NPC102981 |
0.619 | Remote Similarity | NPC99573 |
0.619 | Remote Similarity | NPC227707 |
0.619 | Remote Similarity | NPC88278 |
0.6176 | Remote Similarity | NPC317724 |
0.6176 | Remote Similarity | NPC329496 |
0.6176 | Remote Similarity | NPC230452 |
0.617 | Remote Similarity | NPC42503 |
0.617 | Remote Similarity | NPC299781 |
0.617 | Remote Similarity | NPC157193 |
0.617 | Remote Similarity | NPC282143 |
0.6111 | Remote Similarity | NPC110884 |
0.6098 | Remote Similarity | NPC197039 |
0.6087 | Remote Similarity | NPC8597 |
0.6 | Remote Similarity | NPC24967 |
0.6 | Remote Similarity | NPC103612 |
0.6 | Remote Similarity | NPC62014 |
0.5938 | Remote Similarity | NPC299484 |
0.5938 | Remote Similarity | NPC219266 |
0.5918 | Remote Similarity | NPC326533 |
0.5918 | Remote Similarity | NPC23134 |
0.5918 | Remote Similarity | NPC124963 |
0.5918 | Remote Similarity | NPC233726 |
0.5909 | Remote Similarity | NPC313565 |
0.5909 | Remote Similarity | NPC228782 |
0.5909 | Remote Similarity | NPC259982 |
0.5882 | Remote Similarity | NPC275462 |
0.5849 | Remote Similarity | NPC219040 |
0.5849 | Remote Similarity | NPC293692 |
0.5814 | Remote Similarity | NPC320331 |
0.5814 | Remote Similarity | NPC152008 |
0.5806 | Remote Similarity | NPC327092 |
0.5789 | Remote Similarity | NPC267243 |
0.5789 | Remote Similarity | NPC122962 |
0.5789 | Remote Similarity | NPC317060 |
0.575 | Remote Similarity | NPC325165 |
0.5741 | Remote Similarity | NPC290179 |
0.5741 | Remote Similarity | NPC34877 |
0.5686 | Remote Similarity | NPC58629 |
0.5686 | Remote Similarity | NPC317626 |
0.5686 | Remote Similarity | NPC67660 |
0.5686 | Remote Similarity | NPC314821 |
0.5686 | Remote Similarity | NPC89145 |
0.5686 | Remote Similarity | NPC269166 |
0.5686 | Remote Similarity | NPC157514 |
0.5686 | Remote Similarity | NPC107914 |
0.5686 | Remote Similarity | NPC165198 |
0.5686 | Remote Similarity | NPC317501 |
0.5686 | Remote Similarity | NPC246558 |
0.5686 | Remote Similarity | NPC242073 |
0.5686 | Remote Similarity | NPC145112 |
0.566 | Remote Similarity | NPC293551 |
0.5652 | Remote Similarity | NPC242655 |
0.5652 | Remote Similarity | NPC85078 |
0.5652 | Remote Similarity | NPC38891 |
0.5641 | Remote Similarity | NPC319034 |
0.5641 | Remote Similarity | NPC66124 |
0.5641 | Remote Similarity | NPC72324 |
0.5641 | Remote Similarity | NPC193062 |
0.5641 | Remote Similarity | NPC1748 |
0.5625 | Remote Similarity | NPC294703 |
0.561 | Remote Similarity | NPC474392 |
0.561 | Remote Similarity | NPC5505 |
0.561 | Remote Similarity | NPC474914 |
0.561 | Remote Similarity | NPC233231 |
0.561 | Remote Similarity | NPC321699 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC227267 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 |
---|---|---|---|
0.7949 | Intermediate Similarity | NPD8957 | Approved |
0.775 | Intermediate Similarity | NPD9006 | Approved |
0.7647 | Intermediate Similarity | NPD8814 | Phase 3 |
0.7073 | Intermediate Similarity | NPD8788 | Approved |
0.7045 | Intermediate Similarity | NPD9139 | Approved |
0.7027 | Intermediate Similarity | NPD9051 | Approved |
0.7027 | Intermediate Similarity | NPD9052 | Approved |
0.7027 | Intermediate Similarity | NPD9053 | Approved |
0.6765 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8958 | Phase 2 |
0.6591 | Remote Similarity | NPD8999 | Phase 3 |
0.6591 | Remote Similarity | NPD8998 | Phase 2 |
0.6591 | Remote Similarity | NPD8994 | Approved |
0.6591 | Remote Similarity | NPD8997 | Approved |
0.6591 | Remote Similarity | NPD9000 | Phase 3 |
0.6591 | Remote Similarity | NPD8993 | Phase 1 |
0.6562 | Remote Similarity | NPD8226 | Approved |
0.6562 | Remote Similarity | NPD8225 | Phase 3 |
0.6458 | Remote Similarity | NPD9049 | Discontinued |
0.6458 | Remote Similarity | NPD9050 | Approved |
0.6429 | Remote Similarity | NPD8967 | Approved |
0.6364 | Remote Similarity | NPD9219 | Approved |
0.6364 | Remote Similarity | NPD9218 | Clinical (unspecified phase) |
0.6327 | Remote Similarity | NPD895 | Approved |
0.6327 | Remote Similarity | NPD887 | Approved |
0.6327 | Remote Similarity | NPD894 | Approved |
0.6327 | Remote Similarity | NPD889 | Approved |
0.6304 | Remote Similarity | NPD8965 | Approved |
0.6304 | Remote Similarity | NPD8966 | Approved |
0.6286 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD8996 | Phase 3 |
0.619 | Remote Similarity | NPD8995 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD8977 | Phase 3 |
0.6098 | Remote Similarity | NPD8976 | Approved |
0.5962 | Remote Similarity | NPD2267 | Suspended |
0.5918 | Remote Similarity | NPD904 | Phase 3 |
0.5918 | Remote Similarity | NPD905 | Approved |
0.5814 | Remote Similarity | NPD7536 | Approved |
0.5686 | Remote Similarity | NPD891 | Phase 3 |
0.5686 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD9036 | Phase 3 |
0.5686 | Remote Similarity | NPD893 | Approved |
0.5686 | Remote Similarity | NPD892 | Phase 3 |
0.5686 | Remote Similarity | NPD9035 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD888 | Phase 3 |
0.5652 | Remote Similarity | NPD9110 | Approved |
PubChem CID   | 7360 |
ChEMBL   | CHEMBL2287521 |
ZINC   |
Molecular Weight:   | 102.07 |
ALogP:   | -1.2176 |
MLogP:   | 1.79 |
XLogP:   | -0.146 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 29.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 7 |