Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 59.3 | % | 9871681 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 58.4 | % | 9871681 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 44.6 | % | 9871681 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 41.9 | % | 9871681 |
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 NPC63396 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 |
---|---|---|
1.0 | High Similarity | NPC202850 |
0.9423 | High Similarity | NPC275472 |
0.94 | High Similarity | NPC27438 |
0.8393 | Intermediate Similarity | NPC193695 |
0.8333 | Intermediate Similarity | NPC474141 |
0.8103 | Intermediate Similarity | NPC259261 |
0.807 | Intermediate Similarity | NPC55004 |
0.807 | Intermediate Similarity | NPC49575 |
0.807 | Intermediate Similarity | NPC230823 |
0.807 | Intermediate Similarity | NPC267626 |
0.8 | Intermediate Similarity | NPC268564 |
0.7931 | Intermediate Similarity | NPC30215 |
0.7931 | Intermediate Similarity | NPC94991 |
0.7931 | Intermediate Similarity | NPC266295 |
0.7903 | Intermediate Similarity | NPC197089 |
0.7895 | Intermediate Similarity | NPC20603 |
0.7869 | Intermediate Similarity | NPC473902 |
0.7833 | Intermediate Similarity | NPC475795 |
0.7833 | Intermediate Similarity | NPC60565 |
0.7797 | Intermediate Similarity | NPC143834 |
0.7797 | Intermediate Similarity | NPC285594 |
0.7797 | Intermediate Similarity | NPC96551 |
0.7797 | Intermediate Similarity | NPC276764 |
0.7797 | Intermediate Similarity | NPC472304 |
0.7778 | Intermediate Similarity | NPC32351 |
0.7759 | Intermediate Similarity | NPC115385 |
0.7736 | Intermediate Similarity | NPC91962 |
0.7679 | Intermediate Similarity | NPC45283 |
0.7667 | Intermediate Similarity | NPC127582 |
0.7667 | Intermediate Similarity | NPC25853 |
0.7636 | Intermediate Similarity | NPC236623 |
0.7581 | Intermediate Similarity | NPC212210 |
0.7547 | Intermediate Similarity | NPC262558 |
0.7547 | Intermediate Similarity | NPC8610 |
0.7541 | Intermediate Similarity | NPC97322 |
0.7541 | Intermediate Similarity | NPC213152 |
0.75 | Intermediate Similarity | NPC475523 |
0.75 | Intermediate Similarity | NPC471751 |
0.746 | Intermediate Similarity | NPC251118 |
0.746 | Intermediate Similarity | NPC470329 |
0.7458 | Intermediate Similarity | NPC192427 |
0.7455 | Intermediate Similarity | NPC116906 |
0.7419 | Intermediate Similarity | NPC167256 |
0.7419 | Intermediate Similarity | NPC32285 |
0.7419 | Intermediate Similarity | NPC165695 |
0.7419 | Intermediate Similarity | NPC197238 |
0.7419 | Intermediate Similarity | NPC202118 |
0.7419 | Intermediate Similarity | NPC288253 |
0.7414 | Intermediate Similarity | NPC200258 |
0.7368 | Intermediate Similarity | NPC296311 |
0.7333 | Intermediate Similarity | NPC311852 |
0.7333 | Intermediate Similarity | NPC27610 |
0.7333 | Intermediate Similarity | NPC56905 |
0.7308 | Intermediate Similarity | NPC301972 |
0.7302 | Intermediate Similarity | NPC475124 |
0.7302 | Intermediate Similarity | NPC150162 |
0.7302 | Intermediate Similarity | NPC6697 |
0.7302 | Intermediate Similarity | NPC285371 |
0.7302 | Intermediate Similarity | NPC469662 |
0.7288 | Intermediate Similarity | NPC473733 |
0.7273 | Intermediate Similarity | NPC145311 |
0.7222 | Intermediate Similarity | NPC276009 |
0.7222 | Intermediate Similarity | NPC236355 |
0.7222 | Intermediate Similarity | NPC195246 |
0.7222 | Intermediate Similarity | NPC14917 |
0.7222 | Intermediate Similarity | NPC22098 |
0.7222 | Intermediate Similarity | NPC4079 |
0.7206 | Intermediate Similarity | NPC275098 |
0.7164 | Intermediate Similarity | NPC260040 |
0.7143 | Intermediate Similarity | NPC176819 |
0.7143 | Intermediate Similarity | NPC58970 |
0.7143 | Intermediate Similarity | NPC163984 |
0.7121 | Intermediate Similarity | NPC188292 |
0.7121 | Intermediate Similarity | NPC87141 |
0.7121 | Intermediate Similarity | NPC260474 |
0.7121 | Intermediate Similarity | NPC155198 |
0.7059 | Intermediate Similarity | NPC474562 |
0.7049 | Intermediate Similarity | NPC308108 |
0.7049 | Intermediate Similarity | NPC170799 |
0.7018 | Intermediate Similarity | NPC64866 |
0.7015 | Intermediate Similarity | NPC144511 |
0.7015 | Intermediate Similarity | NPC286814 |
0.7015 | Intermediate Similarity | NPC256846 |
0.7015 | Intermediate Similarity | NPC296522 |
0.7015 | Intermediate Similarity | NPC469677 |
0.7015 | Intermediate Similarity | NPC139397 |
0.7015 | Intermediate Similarity | NPC61702 |
0.7015 | Intermediate Similarity | NPC162867 |
0.697 | Remote Similarity | NPC290350 |
0.697 | Remote Similarity | NPC278895 |
0.697 | Remote Similarity | NPC4370 |
0.6923 | Remote Similarity | NPC474304 |
0.6923 | Remote Similarity | NPC474329 |
0.6912 | Remote Similarity | NPC2634 |
0.6912 | Remote Similarity | NPC265782 |
0.6912 | Remote Similarity | NPC307176 |
0.6912 | Remote Similarity | NPC40574 |
0.6912 | Remote Similarity | NPC251929 |
0.6909 | Remote Similarity | NPC100380 |
0.6897 | Remote Similarity | NPC216407 |
0.6866 | Remote Similarity | NPC142754 |
0.6866 | Remote Similarity | NPC469688 |
0.6866 | Remote Similarity | NPC310992 |
0.6866 | Remote Similarity | NPC82477 |
0.6866 | Remote Similarity | NPC476614 |
0.6866 | Remote Similarity | NPC20610 |
0.6866 | Remote Similarity | NPC39157 |
0.6866 | Remote Similarity | NPC296697 |
0.6857 | Remote Similarity | NPC309852 |
0.6852 | Remote Similarity | NPC25771 |
0.6842 | Remote Similarity | NPC228776 |
0.6842 | Remote Similarity | NPC15325 |
0.6833 | Remote Similarity | NPC188789 |
0.6833 | Remote Similarity | NPC477984 |
0.6825 | Remote Similarity | NPC40206 |
0.6818 | Remote Similarity | NPC323005 |
0.6818 | Remote Similarity | NPC126899 |
0.6818 | Remote Similarity | NPC154728 |
0.6818 | Remote Similarity | NPC304665 |
0.6812 | Remote Similarity | NPC181204 |
0.6812 | Remote Similarity | NPC21944 |
0.6812 | Remote Similarity | NPC190035 |
0.6812 | Remote Similarity | NPC133253 |
0.6812 | Remote Similarity | NPC54123 |
0.6812 | Remote Similarity | NPC129665 |
0.68 | Remote Similarity | NPC185839 |
0.678 | Remote Similarity | NPC23117 |
0.6769 | Remote Similarity | NPC4638 |
0.6769 | Remote Similarity | NPC234767 |
0.6765 | Remote Similarity | NPC469914 |
0.6765 | Remote Similarity | NPC182815 |
0.6765 | Remote Similarity | NPC477449 |
0.6765 | Remote Similarity | NPC477448 |
0.6761 | Remote Similarity | NPC155587 |
0.6761 | Remote Similarity | NPC244166 |
0.6727 | Remote Similarity | NPC166788 |
0.6724 | Remote Similarity | NPC477458 |
0.6716 | Remote Similarity | NPC60120 |
0.6716 | Remote Similarity | NPC20181 |
0.6716 | Remote Similarity | NPC220210 |
0.6714 | Remote Similarity | NPC474228 |
0.6714 | Remote Similarity | NPC107783 |
0.6714 | Remote Similarity | NPC300940 |
0.6714 | Remote Similarity | NPC130016 |
0.6714 | Remote Similarity | NPC470237 |
0.6714 | Remote Similarity | NPC303613 |
0.6714 | Remote Similarity | NPC109576 |
0.6714 | Remote Similarity | NPC92909 |
0.6714 | Remote Similarity | NPC180015 |
0.6714 | Remote Similarity | NPC474488 |
0.6714 | Remote Similarity | NPC56747 |
0.6667 | Remote Similarity | NPC472955 |
0.6667 | Remote Similarity | NPC155880 |
0.6667 | Remote Similarity | NPC214770 |
0.6667 | Remote Similarity | NPC209431 |
0.6667 | Remote Similarity | NPC95581 |
0.6667 | Remote Similarity | NPC268039 |
0.6667 | Remote Similarity | NPC180840 |
0.6667 | Remote Similarity | NPC106819 |
0.6667 | Remote Similarity | NPC92863 |
0.6667 | Remote Similarity | NPC292463 |
0.6667 | Remote Similarity | NPC35734 |
0.6667 | Remote Similarity | NPC151045 |
0.6667 | Remote Similarity | NPC100809 |
0.6667 | Remote Similarity | NPC282593 |
0.6667 | Remote Similarity | NPC246722 |
0.6667 | Remote Similarity | NPC477856 |
0.6667 | Remote Similarity | NPC86538 |
0.6667 | Remote Similarity | NPC159577 |
0.662 | Remote Similarity | NPC206875 |
0.662 | Remote Similarity | NPC20025 |
0.662 | Remote Similarity | NPC329866 |
0.662 | Remote Similarity | NPC474797 |
0.662 | Remote Similarity | NPC474796 |
0.662 | Remote Similarity | NPC469691 |
0.662 | Remote Similarity | NPC167049 |
0.6618 | Remote Similarity | NPC469679 |
0.6615 | Remote Similarity | NPC472306 |
0.6613 | Remote Similarity | NPC165808 |
0.661 | Remote Similarity | NPC22182 |
0.661 | Remote Similarity | NPC68014 |
0.6607 | Remote Similarity | NPC471752 |
0.6604 | Remote Similarity | NPC120926 |
0.6604 | Remote Similarity | NPC218918 |
0.66 | Remote Similarity | NPC38497 |
0.6571 | Remote Similarity | NPC304983 |
0.6571 | Remote Similarity | NPC469737 |
0.6571 | Remote Similarity | NPC470078 |
0.6571 | Remote Similarity | NPC29328 |
0.6571 | Remote Similarity | NPC5701 |
0.6571 | Remote Similarity | NPC288667 |
0.6571 | Remote Similarity | NPC115023 |
0.6552 | Remote Similarity | NPC474391 |
0.6538 | Remote Similarity | NPC141634 |
0.6528 | Remote Similarity | NPC472256 |
0.6528 | Remote Similarity | NPC473171 |
0.6528 | Remote Similarity | NPC475771 |
0.6528 | Remote Similarity | NPC114236 |
0.6528 | Remote Similarity | NPC469669 |
0.6528 | Remote Similarity | NPC469678 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC63396 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 |
---|---|---|---|
0.7049 | Intermediate Similarity | NPD287 | Approved |
0.7015 | Intermediate Similarity | NPD4137 | Phase 3 |
0.6912 | Remote Similarity | NPD4747 | Approved |
0.6912 | Remote Similarity | NPD4691 | Approved |
0.6866 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6818 | Remote Similarity | NPD7331 | Phase 2 |
0.6812 | Remote Similarity | NPD5276 | Approved |
0.662 | Remote Similarity | NPD5733 | Approved |
0.662 | Remote Similarity | NPD4687 | Approved |
0.662 | Remote Similarity | NPD4058 | Approved |
0.6538 | Remote Similarity | NPD5783 | Phase 3 |
0.6418 | Remote Similarity | NPD7341 | Phase 2 |
0.6167 | Remote Similarity | NPD29 | Approved |
0.6167 | Remote Similarity | NPD28 | Approved |
0.6104 | Remote Similarity | NPD4695 | Discontinued |
0.6053 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6032 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5968 | Remote Similarity | NPD3172 | Approved |
0.5949 | Remote Similarity | NPD3667 | Approved |
0.5949 | Remote Similarity | NPD4223 | Phase 3 |
0.5949 | Remote Similarity | NPD4221 | Approved |
0.5897 | Remote Similarity | NPD5368 | Approved |
0.5882 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5875 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD4266 | Approved |
0.5873 | Remote Similarity | NPD3195 | Phase 2 |
0.5873 | Remote Similarity | NPD3194 | Approved |
0.5873 | Remote Similarity | NPD3196 | Approved |
0.5862 | Remote Similarity | NPD3174 | Discontinued |
0.5857 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD319 | Phase 1 |
0.5823 | Remote Similarity | NPD5369 | Approved |
0.5823 | Remote Similarity | NPD8028 | Phase 2 |
0.5802 | Remote Similarity | NPD4786 | Approved |
0.5802 | Remote Similarity | NPD4197 | Approved |
0.5802 | Remote Similarity | NPD3665 | Phase 1 |
0.5802 | Remote Similarity | NPD3666 | Approved |
0.5802 | Remote Similarity | NPD3133 | Approved |
0.5802 | Remote Similarity | NPD3668 | Phase 3 |
0.5763 | Remote Similarity | NPD344 | Approved |
0.5763 | Remote Similarity | NPD343 | Approved |
0.5763 | Remote Similarity | NPD345 | Approved |
0.575 | Remote Similarity | NPD4269 | Approved |
0.575 | Remote Similarity | NPD6435 | Approved |
0.575 | Remote Similarity | NPD4270 | Approved |
0.5732 | Remote Similarity | NPD5329 | Approved |
0.5732 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD4252 | Approved |
0.5679 | Remote Similarity | NPD5362 | Discontinued |
0.5663 | Remote Similarity | NPD4693 | Phase 3 |
0.5663 | Remote Similarity | NPD7521 | Approved |
0.5663 | Remote Similarity | NPD5205 | Approved |
0.5663 | Remote Similarity | NPD4138 | Approved |
0.5663 | Remote Similarity | NPD7334 | Approved |
0.5663 | Remote Similarity | NPD5280 | Approved |
0.5663 | Remote Similarity | NPD5279 | Phase 3 |
0.5663 | Remote Similarity | NPD4694 | Approved |
0.5663 | Remote Similarity | NPD4623 | Approved |
0.5663 | Remote Similarity | NPD6098 | Approved |
0.5663 | Remote Similarity | NPD4690 | Approved |
0.5663 | Remote Similarity | NPD5690 | Phase 2 |
0.5663 | Remote Similarity | NPD6684 | Approved |
0.5663 | Remote Similarity | NPD3618 | Phase 1 |
0.5663 | Remote Similarity | NPD6409 | Approved |
0.5663 | Remote Similarity | NPD4688 | Approved |
0.5663 | Remote Similarity | NPD4519 | Discontinued |
0.5663 | Remote Similarity | NPD7146 | Approved |
0.5663 | Remote Similarity | NPD5330 | Approved |
0.5663 | Remote Similarity | NPD4689 | Approved |
0.5663 | Remote Similarity | NPD5786 | Approved |
0.5658 | Remote Similarity | NPD8039 | Approved |
0.5641 | Remote Similarity | NPD3617 | Approved |
0.5625 | Remote Similarity | NPD857 | Phase 3 |
PubChem CID   | |
ChEMBL   | CHEMBL116790 |
ZINC   |
Molecular Weight:   | 236.18 |
ALogP:   | 1.6904 |
MLogP:   | 2.89 |
XLogP:   | 2.522 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 34.14 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 17 |