Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | Ki | = | 3250 | nM | 18723353 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | = | 4630 | nM | 18723353 |
NPT2668 | Individual Protein | Acetylcholinesterase | Torpedo californica | Ki | = | 9050 | nM | 18723353 |
NPT2668 | Individual Protein | Acetylcholinesterase | Torpedo californica | IC50 | = | 50600 | nM | 18723353 |
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 NPC152684 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 |
---|---|---|
0.9494 | High Similarity | NPC257962 |
0.8706 | High Similarity | NPC166458 |
0.8101 | Intermediate Similarity | NPC245223 |
0.7979 | Intermediate Similarity | NPC167419 |
0.7959 | Intermediate Similarity | NPC55462 |
0.7927 | Intermediate Similarity | NPC476904 |
0.7901 | Intermediate Similarity | NPC21773 |
0.7835 | Intermediate Similarity | NPC471083 |
0.7835 | Intermediate Similarity | NPC152718 |
0.7753 | Intermediate Similarity | NPC147513 |
0.7653 | Intermediate Similarity | NPC50815 |
0.7653 | Intermediate Similarity | NPC226509 |
0.7614 | Intermediate Similarity | NPC215474 |
0.76 | Intermediate Similarity | NPC230677 |
0.7576 | Intermediate Similarity | NPC90538 |
0.7529 | Intermediate Similarity | NPC7214 |
0.7526 | Intermediate Similarity | NPC140685 |
0.75 | Intermediate Similarity | NPC469968 |
0.75 | Intermediate Similarity | NPC80834 |
0.75 | Intermediate Similarity | NPC469958 |
0.7476 | Intermediate Similarity | NPC472359 |
0.7475 | Intermediate Similarity | NPC247060 |
0.7473 | Intermediate Similarity | NPC157479 |
0.7471 | Intermediate Similarity | NPC211322 |
0.747 | Intermediate Similarity | NPC265789 |
0.7439 | Intermediate Similarity | NPC124384 |
0.7426 | Intermediate Similarity | NPC36497 |
0.7353 | Intermediate Similarity | NPC25340 |
0.7303 | Intermediate Similarity | NPC90150 |
0.7273 | Intermediate Similarity | NPC275686 |
0.7222 | Intermediate Similarity | NPC224072 |
0.7209 | Intermediate Similarity | NPC125828 |
0.7174 | Intermediate Similarity | NPC311769 |
0.7174 | Intermediate Similarity | NPC24733 |
0.7174 | Intermediate Similarity | NPC182106 |
0.7143 | Intermediate Similarity | NPC171639 |
0.7143 | Intermediate Similarity | NPC476903 |
0.7126 | Intermediate Similarity | NPC476308 |
0.7111 | Intermediate Similarity | NPC118329 |
0.7111 | Intermediate Similarity | NPC152039 |
0.7111 | Intermediate Similarity | NPC329782 |
0.7059 | Intermediate Similarity | NPC476329 |
0.7059 | Intermediate Similarity | NPC474583 |
0.7033 | Intermediate Similarity | NPC472312 |
0.7033 | Intermediate Similarity | NPC283277 |
0.7033 | Intermediate Similarity | NPC39966 |
0.7009 | Intermediate Similarity | NPC56796 |
0.7 | Intermediate Similarity | NPC12035 |
0.6989 | Remote Similarity | NPC75810 |
0.6981 | Remote Similarity | NPC72753 |
0.6962 | Remote Similarity | NPC21781 |
0.6947 | Remote Similarity | NPC259252 |
0.6887 | Remote Similarity | NPC175585 |
0.6842 | Remote Similarity | NPC43308 |
0.6824 | Remote Similarity | NPC138409 |
0.6814 | Remote Similarity | NPC242692 |
0.68 | Remote Similarity | NPC247220 |
0.6783 | Remote Similarity | NPC109151 |
0.6768 | Remote Similarity | NPC280710 |
0.6768 | Remote Similarity | NPC243985 |
0.6759 | Remote Similarity | NPC66862 |
0.6754 | Remote Similarity | NPC472458 |
0.6744 | Remote Similarity | NPC120167 |
0.6744 | Remote Similarity | NPC473442 |
0.6739 | Remote Similarity | NPC474122 |
0.6733 | Remote Similarity | NPC184033 |
0.6731 | Remote Similarity | NPC45365 |
0.6731 | Remote Similarity | NPC293299 |
0.6701 | Remote Similarity | NPC249312 |
0.67 | Remote Similarity | NPC272732 |
0.67 | Remote Similarity | NPC311164 |
0.6667 | Remote Similarity | NPC165396 |
0.6627 | Remote Similarity | NPC53276 |
0.66 | Remote Similarity | NPC476754 |
0.6596 | Remote Similarity | NPC21667 |
0.6588 | Remote Similarity | NPC476135 |
0.6571 | Remote Similarity | NPC241879 |
0.6569 | Remote Similarity | NPC240650 |
0.6562 | Remote Similarity | NPC56107 |
0.6548 | Remote Similarity | NPC469970 |
0.6509 | Remote Similarity | NPC119329 |
0.6506 | Remote Similarity | NPC477740 |
0.6505 | Remote Similarity | NPC91604 |
0.65 | Remote Similarity | NPC476753 |
0.65 | Remote Similarity | NPC476752 |
0.6481 | Remote Similarity | NPC159367 |
0.6476 | Remote Similarity | NPC58200 |
0.6471 | Remote Similarity | NPC37792 |
0.6442 | Remote Similarity | NPC135799 |
0.6441 | Remote Similarity | NPC237286 |
0.6437 | Remote Similarity | NPC472831 |
0.6437 | Remote Similarity | NPC184919 |
0.6429 | Remote Similarity | NPC34754 |
0.6429 | Remote Similarity | NPC324405 |
0.6408 | Remote Similarity | NPC474164 |
0.6408 | Remote Similarity | NPC140300 |
0.6386 | Remote Similarity | NPC219621 |
0.6381 | Remote Similarity | NPC118275 |
0.6374 | Remote Similarity | NPC25110 |
0.6337 | Remote Similarity | NPC93027 |
0.6322 | Remote Similarity | NPC271640 |
0.6304 | Remote Similarity | NPC91665 |
0.63 | Remote Similarity | NPC84171 |
0.6265 | Remote Similarity | NPC317778 |
0.6235 | Remote Similarity | NPC476682 |
0.6226 | Remote Similarity | NPC474582 |
0.6224 | Remote Similarity | NPC474458 |
0.6222 | Remote Similarity | NPC474743 |
0.6196 | Remote Similarity | NPC244488 |
0.6196 | Remote Similarity | NPC247325 |
0.619 | Remote Similarity | NPC132847 |
0.6168 | Remote Similarity | NPC176012 |
0.6168 | Remote Similarity | NPC476755 |
0.6154 | Remote Similarity | NPC289140 |
0.6147 | Remote Similarity | NPC86906 |
0.6145 | Remote Similarity | NPC309825 |
0.6111 | Remote Similarity | NPC3202 |
0.6091 | Remote Similarity | NPC46981 |
0.6071 | Remote Similarity | NPC328052 |
0.6055 | Remote Similarity | NPC212874 |
0.6042 | Remote Similarity | NPC475724 |
0.6024 | Remote Similarity | NPC472830 |
0.6024 | Remote Similarity | NPC324944 |
0.6 | Remote Similarity | NPC47982 |
0.6 | Remote Similarity | NPC30986 |
0.6 | Remote Similarity | NPC209430 |
0.6 | Remote Similarity | NPC109546 |
0.6 | Remote Similarity | NPC84694 |
0.6 | Remote Similarity | NPC143182 |
0.6 | Remote Similarity | NPC28862 |
0.6 | Remote Similarity | NPC475728 |
0.6 | Remote Similarity | NPC474695 |
0.6 | Remote Similarity | NPC81306 |
0.5979 | Remote Similarity | NPC296701 |
0.5979 | Remote Similarity | NPC218616 |
0.5963 | Remote Similarity | NPC473254 |
0.5962 | Remote Similarity | NPC477290 |
0.5955 | Remote Similarity | NPC160209 |
0.5948 | Remote Similarity | NPC246904 |
0.5946 | Remote Similarity | NPC169375 |
0.5943 | Remote Similarity | NPC4834 |
0.5938 | Remote Similarity | NPC234193 |
0.5932 | Remote Similarity | NPC35037 |
0.593 | Remote Similarity | NPC145715 |
0.5929 | Remote Similarity | NPC472313 |
0.5926 | Remote Similarity | NPC474001 |
0.5917 | Remote Similarity | NPC469943 |
0.5909 | Remote Similarity | NPC474456 |
0.5904 | Remote Similarity | NPC11130 |
0.5904 | Remote Similarity | NPC173815 |
0.5897 | Remote Similarity | NPC473573 |
0.5895 | Remote Similarity | NPC474216 |
0.5882 | Remote Similarity | NPC176621 |
0.5882 | Remote Similarity | NPC311809 |
0.5877 | Remote Similarity | NPC79238 |
0.5877 | Remote Similarity | NPC474459 |
0.5876 | Remote Similarity | NPC209620 |
0.5876 | Remote Similarity | NPC109533 |
0.5876 | Remote Similarity | NPC192456 |
0.5876 | Remote Similarity | NPC264245 |
0.5876 | Remote Similarity | NPC23852 |
0.5862 | Remote Similarity | NPC473959 |
0.5859 | Remote Similarity | NPC16287 |
0.5859 | Remote Similarity | NPC178025 |
0.5859 | Remote Similarity | NPC181743 |
0.5856 | Remote Similarity | NPC233256 |
0.5856 | Remote Similarity | NPC195841 |
0.5851 | Remote Similarity | NPC259989 |
0.5851 | Remote Similarity | NPC174803 |
0.5851 | Remote Similarity | NPC237460 |
0.5843 | Remote Similarity | NPC176107 |
0.5842 | Remote Similarity | NPC21035 |
0.5826 | Remote Similarity | NPC476498 |
0.5826 | Remote Similarity | NPC474452 |
0.5824 | Remote Similarity | NPC477856 |
0.5824 | Remote Similarity | NPC214770 |
0.5818 | Remote Similarity | NPC98765 |
0.5816 | Remote Similarity | NPC50964 |
0.5816 | Remote Similarity | NPC49964 |
0.5816 | Remote Similarity | NPC472239 |
0.5816 | Remote Similarity | NPC189972 |
0.5816 | Remote Similarity | NPC101462 |
0.5814 | Remote Similarity | NPC477739 |
0.5814 | Remote Similarity | NPC469728 |
0.581 | Remote Similarity | NPC473314 |
0.5804 | Remote Similarity | NPC244982 |
0.5804 | Remote Similarity | NPC476756 |
0.58 | Remote Similarity | NPC60350 |
0.58 | Remote Similarity | NPC34811 |
0.5795 | Remote Similarity | NPC107258 |
0.5783 | Remote Similarity | NPC261158 |
0.5783 | Remote Similarity | NPC104138 |
0.5783 | Remote Similarity | NPC24216 |
0.5783 | Remote Similarity | NPC318036 |
0.5783 | Remote Similarity | NPC306420 |
0.5778 | Remote Similarity | NPC20610 |
0.5778 | Remote Similarity | NPC476288 |
0.5776 | Remote Similarity | NPC478137 |
0.5773 | Remote Similarity | NPC209944 |
0.5773 | Remote Similarity | NPC241290 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC152684 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 |
---|---|---|---|
0.7849 | Intermediate Similarity | NPD5771 | Approved |
0.766 | Intermediate Similarity | NPD5769 | Clinical (unspecified phase) |
0.6941 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.6941 | Remote Similarity | NPD6939 | Phase 2 |
0.6132 | Remote Similarity | NPD6404 | Discontinued |
0.6111 | Remote Similarity | NPD5365 | Phase 2 |
0.61 | Remote Similarity | NPD4723 | Approved |
0.61 | Remote Similarity | NPD4722 | Approved |
0.6066 | Remote Similarity | NPD6330 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD2895 | Discontinued |
0.598 | Remote Similarity | NPD6934 | Discontinued |
0.5934 | Remote Similarity | NPD4243 | Approved |
0.5856 | Remote Similarity | NPD7333 | Discontinued |
0.5833 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD4785 | Approved |
0.5806 | Remote Similarity | NPD4784 | Approved |
0.5745 | Remote Similarity | NPD7339 | Approved |
0.5745 | Remote Similarity | NPD6942 | Approved |
0.566 | Remote Similarity | NPD5707 | Approved |
0.5625 | Remote Similarity | NPD7812 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD7525 | Registered |
PubChem CID   | 44364861 |
ChEMBL   | CHEMBL359415 |
ZINC   |
Molecular Weight:   | 456.41 |
ALogP:   | 2.2829 |
MLogP:   | 4.43 |
XLogP:   | 9.507 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 35.83 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 33 |