Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[12707912] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Activity | = | 26 | % | 18926709 | |
NPT2 | Others | Unspecified | Activity | = | 24 | % | 18926709 | |
NPT2 | Others | Unspecified | Activity | = | 29 | % | 18926709 | |
NPT1 | Others | Radical scavenging activity | Activity | = | 54 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 81.4 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 87.4 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 89.6 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 97.6 | % | 18926709 |
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 NPC289691 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 |
---|---|---|
0.9831 | High Similarity | NPC325597 |
0.9831 | High Similarity | NPC174304 |
0.9048 | High Similarity | NPC319046 |
0.8906 | High Similarity | NPC126779 |
0.8793 | High Similarity | NPC325985 |
0.8667 | High Similarity | NPC321536 |
0.8525 | High Similarity | NPC143722 |
0.8475 | Intermediate Similarity | NPC38463 |
0.8305 | Intermediate Similarity | NPC322573 |
0.8276 | Intermediate Similarity | NPC190184 |
0.8276 | Intermediate Similarity | NPC197087 |
0.7971 | Intermediate Similarity | NPC315897 |
0.7931 | Intermediate Similarity | NPC319175 |
0.7656 | Intermediate Similarity | NPC321419 |
0.75 | Intermediate Similarity | NPC320598 |
0.75 | Intermediate Similarity | NPC317143 |
0.75 | Intermediate Similarity | NPC316826 |
0.75 | Intermediate Similarity | NPC254541 |
0.75 | Intermediate Similarity | NPC321468 |
0.75 | Intermediate Similarity | NPC327748 |
0.7385 | Intermediate Similarity | NPC327170 |
0.7385 | Intermediate Similarity | NPC329564 |
0.7377 | Intermediate Similarity | NPC189178 |
0.7377 | Intermediate Similarity | NPC263065 |
0.7344 | Intermediate Similarity | NPC189301 |
0.7344 | Intermediate Similarity | NPC176164 |
0.7333 | Intermediate Similarity | NPC125736 |
0.7333 | Intermediate Similarity | NPC273330 |
0.7333 | Intermediate Similarity | NPC137958 |
0.7241 | Intermediate Similarity | NPC136476 |
0.7241 | Intermediate Similarity | NPC49952 |
0.7213 | Intermediate Similarity | NPC19576 |
0.7213 | Intermediate Similarity | NPC29950 |
0.7188 | Intermediate Similarity | NPC318260 |
0.7188 | Intermediate Similarity | NPC317147 |
0.7164 | Intermediate Similarity | NPC327252 |
0.7143 | Intermediate Similarity | NPC327831 |
0.7049 | Intermediate Similarity | NPC327239 |
0.7 | Intermediate Similarity | NPC118524 |
0.6984 | Remote Similarity | NPC321118 |
0.6984 | Remote Similarity | NPC316889 |
0.6949 | Remote Similarity | NPC185755 |
0.6949 | Remote Similarity | NPC248970 |
0.6949 | Remote Similarity | NPC297220 |
0.6949 | Remote Similarity | NPC213876 |
0.6949 | Remote Similarity | NPC306238 |
0.6875 | Remote Similarity | NPC2801 |
0.678 | Remote Similarity | NPC327698 |
0.678 | Remote Similarity | NPC118459 |
0.6721 | Remote Similarity | NPC140872 |
0.6721 | Remote Similarity | NPC153370 |
0.6721 | Remote Similarity | NPC93081 |
0.6667 | Remote Similarity | NPC322946 |
0.662 | Remote Similarity | NPC325534 |
0.6613 | Remote Similarity | NPC112890 |
0.6613 | Remote Similarity | NPC170739 |
0.6613 | Remote Similarity | NPC316231 |
0.6613 | Remote Similarity | NPC152451 |
0.6613 | Remote Similarity | NPC324825 |
0.6613 | Remote Similarity | NPC328378 |
0.6613 | Remote Similarity | NPC193989 |
0.6562 | Remote Similarity | NPC329495 |
0.6552 | Remote Similarity | NPC317691 |
0.6552 | Remote Similarity | NPC254482 |
0.6552 | Remote Similarity | NPC326808 |
0.6552 | Remote Similarity | NPC110533 |
0.6508 | Remote Similarity | NPC114990 |
0.65 | Remote Similarity | NPC329263 |
0.6418 | Remote Similarity | NPC278209 |
0.64 | Remote Similarity | NPC328457 |
0.6377 | Remote Similarity | NPC68974 |
0.6364 | Remote Similarity | NPC102815 |
0.6349 | Remote Similarity | NPC226027 |
0.6349 | Remote Similarity | NPC162620 |
0.6349 | Remote Similarity | NPC84636 |
0.6349 | Remote Similarity | NPC43204 |
0.6349 | Remote Similarity | NPC245027 |
0.6349 | Remote Similarity | NPC174246 |
0.6349 | Remote Similarity | NPC62045 |
0.6308 | Remote Similarity | NPC317815 |
0.629 | Remote Similarity | NPC204364 |
0.6212 | Remote Similarity | NPC279661 |
0.6212 | Remote Similarity | NPC183845 |
0.6164 | Remote Similarity | NPC470108 |
0.6133 | Remote Similarity | NPC472579 |
0.6129 | Remote Similarity | NPC228932 |
0.6129 | Remote Similarity | NPC198196 |
0.6111 | Remote Similarity | NPC315744 |
0.6111 | Remote Similarity | NPC106216 |
0.6111 | Remote Similarity | NPC88898 |
0.6102 | Remote Similarity | NPC121517 |
0.6102 | Remote Similarity | NPC168375 |
0.6102 | Remote Similarity | NPC326992 |
0.6092 | Remote Similarity | NPC193386 |
0.6081 | Remote Similarity | NPC470109 |
0.6056 | Remote Similarity | NPC118429 |
0.6032 | Remote Similarity | NPC118187 |
0.6027 | Remote Similarity | NPC50047 |
0.6026 | Remote Similarity | NPC476248 |
0.6 | Remote Similarity | NPC72401 |
0.6 | Remote Similarity | NPC325339 |
0.6 | Remote Similarity | NPC470110 |
0.6 | Remote Similarity | NPC59867 |
0.5968 | Remote Similarity | NPC191136 |
0.5938 | Remote Similarity | NPC227850 |
0.5938 | Remote Similarity | NPC318523 |
0.5915 | Remote Similarity | NPC177191 |
0.5902 | Remote Similarity | NPC276294 |
0.5902 | Remote Similarity | NPC291186 |
0.5902 | Remote Similarity | NPC167986 |
0.5897 | Remote Similarity | NPC55274 |
0.589 | Remote Similarity | NPC226453 |
0.589 | Remote Similarity | NPC103130 |
0.587 | Remote Similarity | NPC117829 |
0.5867 | Remote Similarity | NPC188231 |
0.5867 | Remote Similarity | NPC222327 |
0.5862 | Remote Similarity | NPC69179 |
0.5857 | Remote Similarity | NPC245346 |
0.5857 | Remote Similarity | NPC11433 |
0.5857 | Remote Similarity | NPC302003 |
0.5851 | Remote Similarity | NPC132931 |
0.5833 | Remote Similarity | NPC84128 |
0.5833 | Remote Similarity | NPC53858 |
0.5811 | Remote Similarity | NPC278881 |
0.5806 | Remote Similarity | NPC325097 |
0.5806 | Remote Similarity | NPC323974 |
0.5806 | Remote Similarity | NPC132307 |
0.5806 | Remote Similarity | NPC126925 |
0.5789 | Remote Similarity | NPC81647 |
0.5781 | Remote Similarity | NPC136159 |
0.5775 | Remote Similarity | NPC64250 |
0.5775 | Remote Similarity | NPC268927 |
0.5775 | Remote Similarity | NPC276928 |
0.5763 | Remote Similarity | NPC18188 |
0.5735 | Remote Similarity | NPC145235 |
0.5733 | Remote Similarity | NPC327985 |
0.5732 | Remote Similarity | NPC314680 |
0.5732 | Remote Similarity | NPC37681 |
0.5714 | Remote Similarity | NPC208793 |
0.5714 | Remote Similarity | NPC283786 |
0.5714 | Remote Similarity | NPC285322 |
0.5714 | Remote Similarity | NPC133183 |
0.5714 | Remote Similarity | NPC314466 |
0.5714 | Remote Similarity | NPC475542 |
0.5676 | Remote Similarity | NPC145658 |
0.5676 | Remote Similarity | NPC57420 |
0.5672 | Remote Similarity | NPC200550 |
0.5672 | Remote Similarity | NPC155156 |
0.5641 | Remote Similarity | NPC478256 |
0.5634 | Remote Similarity | NPC190385 |
0.5616 | Remote Similarity | NPC477644 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC289691 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 |
---|---|---|---|
0.9831 | High Similarity | NPD348 | Approved |
0.9194 | High Similarity | NPD886 | Clinical (unspecified phase) |
0.9048 | High Similarity | NPD337 | Discontinued |
0.9048 | High Similarity | NPD4241 | Registered |
0.8906 | High Similarity | NPD4242 | Approved |
0.8814 | High Similarity | NPD9433 | Approved |
0.8636 | High Similarity | NPD2262 | Clinical (unspecified phase) |
0.8276 | Intermediate Similarity | NPD8785 | Approved |
0.7971 | Intermediate Similarity | NPD1825 | Clinical (unspecified phase) |
0.7761 | Intermediate Similarity | NPD1429 | Clinical (unspecified phase) |
0.7403 | Intermediate Similarity | NPD7643 | Phase 1 |
0.7377 | Intermediate Similarity | NPD9204 | Approved |
0.7377 | Intermediate Similarity | NPD9205 | Approved |
0.7333 | Intermediate Similarity | NPD8871 | Approved |
0.7333 | Intermediate Similarity | NPD8872 | Phase 3 |
0.7273 | Intermediate Similarity | NPD574 | Approved |
0.7222 | Intermediate Similarity | NPD6944 | Clinical (unspecified phase) |
0.7213 | Intermediate Similarity | NPD8847 | Approved |
0.7213 | Intermediate Similarity | NPD61 | Approved |
0.7213 | Intermediate Similarity | NPD8846 | Approved |
0.7164 | Intermediate Similarity | NPD575 | Clinical (unspecified phase) |
0.7097 | Intermediate Similarity | NPD8851 | Phase 1 |
0.7049 | Intermediate Similarity | NPD329 | Discontinued |
0.6949 | Remote Similarity | NPD8982 | Approved |
0.6949 | Remote Similarity | NPD8870 | Approved |
0.6757 | Remote Similarity | NPD1147 | Phase 2 |
0.6721 | Remote Similarity | NPD9214 | Phase 3 |
0.6721 | Remote Similarity | NPD9213 | Approved |
0.6721 | Remote Similarity | NPD8808 | Approved |
0.6721 | Remote Similarity | NPD8614 | Approved |
0.6721 | Remote Similarity | NPD8809 | Approved |
0.6667 | Remote Similarity | NPD9441 | Phase 2 |
0.6667 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.662 | Remote Similarity | NPD8952 | Approved |
0.6613 | Remote Similarity | NPD9044 | Approved |
0.6613 | Remote Similarity | NPD9021 | Approved |
0.6613 | Remote Similarity | NPD8802 | Approved |
0.6613 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.661 | Remote Similarity | NPD8869 | Approved |
0.6552 | Remote Similarity | NPD8215 | Approved |
0.6552 | Remote Similarity | NPD8214 | Approved |
0.6452 | Remote Similarity | NPD8873 | Approved |
0.6447 | Remote Similarity | NPD366 | Approved |
0.6438 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.6393 | Remote Similarity | NPD8801 | Approved |
0.6349 | Remote Similarity | NPD9017 | Approved |
0.6349 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6349 | Remote Similarity | NPD9018 | Approved |
0.6308 | Remote Similarity | NPD9420 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD9386 | Approved |
0.6308 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6265 | Remote Similarity | NPD9577 | Approved |
0.6264 | Remote Similarity | NPD842 | Phase 3 |
0.6216 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.6129 | Remote Similarity | NPD9020 | Approved |
0.6111 | Remote Similarity | NPD364 | Discontinued |
0.6081 | Remote Similarity | NPD9421 | Phase 1 |
0.6067 | Remote Similarity | NPD1749 | Approved |
0.6056 | Remote Similarity | NPD9014 | Approved |
0.6024 | Remote Similarity | NPD1125 | Discovery |
0.6 | Remote Similarity | NPD9025 | Approved |
0.5968 | Remote Similarity | NPD397 | Phase 2 |
0.5926 | Remote Similarity | NPD3160 | Suspended |
0.5902 | Remote Similarity | NPD8804 | Approved |
0.5902 | Remote Similarity | NPD8805 | Approved |
0.589 | Remote Similarity | NPD9048 | Approved |
0.589 | Remote Similarity | NPD9047 | Approved |
0.589 | Remote Similarity | NPD9046 | Phase 3 |
0.589 | Remote Similarity | NPD9045 | Approved |
0.5867 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5857 | Remote Similarity | NPD8865 | Approved |
0.5806 | Remote Similarity | NPD9019 | Approved |
0.5806 | Remote Similarity | NPD8798 | Approved |
0.5797 | Remote Similarity | NPD8980 | Approved |
0.5797 | Remote Similarity | NPD8979 | Approved |
0.5797 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD8623 | Phase 1 |
0.5747 | Remote Similarity | NPD7759 | Phase 2 |
0.5747 | Remote Similarity | NPD7760 | Phase 2 |
0.5735 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8610 | Approved |
0.5714 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1815 | Discontinued |
0.5692 | Remote Similarity | NPD8577 | Discontinued |
0.5663 | Remote Similarity | NPD4815 | Discontinued |
0.5658 | Remote Similarity | NPD9232 | Phase 2 |
0.5658 | Remote Similarity | NPD9233 | Phase 3 |
0.5658 | Remote Similarity | NPD2263 | Discontinued |
0.5658 | Remote Similarity | NPD9231 | Phase 3 |
0.5652 | Remote Similarity | NPD8971 | Approved |
0.5641 | Remote Similarity | NPD9649 | Approved |
0.5634 | Remote Similarity | NPD8848 | Approved |
0.5634 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD9109 | Discontinued |
0.5604 | Remote Similarity | NPD5792 | Clinical (unspecified phase) |
PubChem CID   | 123938 |
ChEMBL   | CHEMBL460831 |
ZINC   |
Molecular Weight:   | 250.06 |
ALogP:   | -1.3559 |
MLogP:   | 1.46 |
XLogP:   | -3.222 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 172.01 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 4 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |