Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2668 | Individual Protein | Acetylcholinesterase | Torpedo californica | IC50 | = | 204200 | nM | 26331334 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | Ki | = | 8600 | nM | 9599260 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | = | 16500 | nM | 9599260 |
NPT2668 | Individual Protein | Acetylcholinesterase | Torpedo californica | Ki | = | 216000 | nM | 9599260 |
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 NPC25110 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 |
---|---|---|
0.9286 | High Similarity | NPC473442 |
0.9286 | High Similarity | NPC120167 |
0.8642 | High Similarity | NPC43308 |
0.8571 | High Similarity | NPC469970 |
0.8429 | Intermediate Similarity | NPC53276 |
0.8219 | Intermediate Similarity | NPC271640 |
0.8125 | Intermediate Similarity | NPC90150 |
0.7857 | Intermediate Similarity | NPC21781 |
0.7738 | Intermediate Similarity | NPC34811 |
0.7738 | Intermediate Similarity | NPC147513 |
0.7662 | Intermediate Similarity | NPC110615 |
0.7632 | Intermediate Similarity | NPC245223 |
0.759 | Intermediate Similarity | NPC215474 |
0.7442 | Intermediate Similarity | NPC157479 |
0.7403 | Intermediate Similarity | NPC124384 |
0.7108 | Intermediate Similarity | NPC39308 |
0.7024 | Intermediate Similarity | NPC211322 |
0.6966 | Remote Similarity | NPC21035 |
0.686 | Remote Similarity | NPC329782 |
0.686 | Remote Similarity | NPC152039 |
0.686 | Remote Similarity | NPC118329 |
0.6842 | Remote Similarity | NPC292819 |
0.6813 | Remote Similarity | NPC323156 |
0.6782 | Remote Similarity | NPC472312 |
0.6744 | Remote Similarity | NPC12035 |
0.6667 | Remote Similarity | NPC257962 |
0.6596 | Remote Similarity | NPC476753 |
0.6596 | Remote Similarity | NPC476752 |
0.6566 | Remote Similarity | NPC58200 |
0.6566 | Remote Similarity | NPC470592 |
0.6526 | Remote Similarity | NPC476754 |
0.6495 | Remote Similarity | NPC473537 |
0.6458 | Remote Similarity | NPC174117 |
0.6436 | Remote Similarity | NPC470596 |
0.6429 | Remote Similarity | NPC252564 |
0.6429 | Remote Similarity | NPC476904 |
0.6429 | Remote Similarity | NPC475249 |
0.641 | Remote Similarity | NPC477740 |
0.6386 | Remote Similarity | NPC21773 |
0.6374 | Remote Similarity | NPC152684 |
0.6374 | Remote Similarity | NPC182106 |
0.6374 | Remote Similarity | NPC311769 |
0.6364 | Remote Similarity | NPC201712 |
0.6333 | Remote Similarity | NPC21667 |
0.6301 | Remote Similarity | NPC472828 |
0.63 | Remote Similarity | NPC475518 |
0.6292 | Remote Similarity | NPC474122 |
0.6279 | Remote Similarity | NPC7214 |
0.6277 | Remote Similarity | NPC135005 |
0.6264 | Remote Similarity | NPC116881 |
0.6264 | Remote Similarity | NPC57163 |
0.625 | Remote Similarity | NPC470595 |
0.6196 | Remote Similarity | NPC24733 |
0.619 | Remote Similarity | NPC473994 |
0.617 | Remote Similarity | NPC259252 |
0.6139 | Remote Similarity | NPC474001 |
0.6111 | Remote Similarity | NPC109533 |
0.6042 | Remote Similarity | NPC312637 |
0.6019 | Remote Similarity | NPC124358 |
0.6 | Remote Similarity | NPC474027 |
0.6 | Remote Similarity | NPC244982 |
0.6 | Remote Similarity | NPC476756 |
0.6 | Remote Similarity | NPC265789 |
0.6 | Remote Similarity | NPC474435 |
0.5981 | Remote Similarity | NPC472313 |
0.5981 | Remote Similarity | NPC72753 |
0.5978 | Remote Similarity | NPC153734 |
0.5978 | Remote Similarity | NPC171639 |
0.596 | Remote Similarity | NPC155985 |
0.5957 | Remote Similarity | NPC56107 |
0.5926 | Remote Similarity | NPC66862 |
0.5926 | Remote Similarity | NPC79238 |
0.5926 | Remote Similarity | NPC474459 |
0.5905 | Remote Similarity | NPC230677 |
0.589 | Remote Similarity | NPC201713 |
0.5882 | Remote Similarity | NPC135799 |
0.5876 | Remote Similarity | NPC84171 |
0.5872 | Remote Similarity | NPC474452 |
0.587 | Remote Similarity | NPC283277 |
0.5856 | Remote Similarity | NPC246904 |
0.5842 | Remote Similarity | NPC474164 |
0.5804 | Remote Similarity | NPC473573 |
0.5795 | Remote Similarity | NPC125828 |
0.5794 | Remote Similarity | NPC159367 |
0.5784 | Remote Similarity | NPC140685 |
0.5758 | Remote Similarity | NPC93027 |
0.5755 | Remote Similarity | NPC195841 |
0.5755 | Remote Similarity | NPC233256 |
0.5738 | Remote Similarity | NPC126458 |
0.5733 | Remote Similarity | NPC212905 |
0.573 | Remote Similarity | NPC259989 |
0.573 | Remote Similarity | NPC174803 |
0.5714 | Remote Similarity | NPC184819 |
0.5702 | Remote Similarity | NPC475340 |
0.5686 | Remote Similarity | NPC167419 |
0.5684 | Remote Similarity | NPC75810 |
0.5682 | Remote Similarity | NPC17770 |
0.5679 | Remote Similarity | NPC477739 |
0.5673 | Remote Similarity | NPC118275 |
0.5652 | Remote Similarity | NPC470594 |
0.5652 | Remote Similarity | NPC470593 |
0.5647 | Remote Similarity | NPC476288 |
0.5641 | Remote Similarity | NPC143597 |
0.5641 | Remote Similarity | NPC151464 |
0.5631 | Remote Similarity | NPC220111 |
0.5625 | Remote Similarity | NPC166458 |
0.5619 | Remote Similarity | NPC476755 |
0.5619 | Remote Similarity | NPC176012 |
0.5618 | Remote Similarity | NPC477002 |
0.561 | Remote Similarity | NPC89921 |
0.5607 | Remote Similarity | NPC36497 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC25110 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 |
---|---|---|---|
0.7875 | Intermediate Similarity | NPD7155 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD6934 | Discontinued |
0.6744 | Remote Similarity | NPD3155 | Clinical (unspecified phase) |
0.6495 | Remote Similarity | NPD7920 | Phase 3 |
0.6495 | Remote Similarity | NPD7919 | Phase 3 |
0.6484 | Remote Similarity | NPD8308 | Discontinued |
0.6429 | Remote Similarity | NPD8088 | Phase 1 |
0.6389 | Remote Similarity | NPD3721 | Approved |
0.6389 | Remote Similarity | NPD3722 | Approved |
0.6143 | Remote Similarity | NPD872 | Approved |
0.6143 | Remote Similarity | NPD874 | Approved |
0.6136 | Remote Similarity | NPD4776 | Phase 2 |
0.6136 | Remote Similarity | NPD4777 | Suspended |
0.6053 | Remote Similarity | NPD628 | Phase 3 |
0.6053 | Remote Similarity | NPD625 | Approved |
0.6053 | Remote Similarity | NPD627 | Approved |
0.6053 | Remote Similarity | NPD626 | Phase 3 |
0.602 | Remote Similarity | NPD2636 | Clinical (unspecified phase) |
0.602 | Remote Similarity | NPD2637 | Approved |
0.6 | Remote Similarity | NPD3727 | Discontinued |
0.589 | Remote Similarity | NPD4834 | Discontinued |
0.5814 | Remote Similarity | NPD5365 | Phase 2 |
0.5714 | Remote Similarity | NPD7987 | Approved |
0.5714 | Remote Similarity | NPD7911 | Approved |
0.5714 | Remote Similarity | NPD7986 | Approved |
0.5714 | Remote Similarity | NPD7912 | Approved |
0.5634 | Remote Similarity | NPD873 | Approved |
0.5634 | Remote Similarity | NPD871 | Approved |
0.5631 | Remote Similarity | NPD3104 | Approved |
0.5631 | Remote Similarity | NPD3101 | Approved |
0.5631 | Remote Similarity | NPD3103 | Approved |
0.5631 | Remote Similarity | NPD3102 | Approved |
0.5616 | Remote Similarity | NPD5379 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD6920 | Discontinued |
0.5607 | Remote Similarity | NPD8040 | Discontinued |
0.56 | Remote Similarity | NPD5793 | Discontinued |
PubChem CID   | 44364863 |
ChEMBL   | CHEMBL147346 |
ZINC   |
Molecular Weight:   | 388.35 |
ALogP:   | 0.0377 |
MLogP:   | 3.88 |
XLogP:   | 7.08 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 32.34 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 28 |