Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1756 | Cremastra appendiculata | Species | Orchidaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT262 | Individual Protein | Muscarinic acetylcholine receptor M1 | Homo sapiens | IC50 | = | 505 | nM | 15844951 |
NPT263 | Individual Protein | Muscarinic acetylcholine receptor M2 | Homo sapiens | IC50 | > | 5517 | nM | 15844951 |
NPT264 | Individual Protein | Muscarinic acetylcholine receptor M3 | Homo sapiens | IC50 | = | 126 | nM | 15844951 |
NPT265 | Individual Protein | Muscarinic acetylcholine receptor M4 | Homo sapiens | IC50 | = | 498 | nM | 15844951 |
NPT266 | Individual Protein | Muscarinic acetylcholine receptor M5 | Homo sapiens | IC50 | = | 1220 | nM | 15844951 |
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 NPC233108 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 |
---|---|---|
0.8537 | High Similarity | NPC52533 |
0.7033 | Intermediate Similarity | NPC476019 |
0.6941 | Remote Similarity | NPC216090 |
0.6932 | Remote Similarity | NPC277918 |
0.6667 | Remote Similarity | NPC319991 |
0.663 | Remote Similarity | NPC322966 |
0.663 | Remote Similarity | NPC203170 |
0.6625 | Remote Similarity | NPC171850 |
0.66 | Remote Similarity | NPC279833 |
0.66 | Remote Similarity | NPC80439 |
0.66 | Remote Similarity | NPC173690 |
0.6575 | Remote Similarity | NPC471442 |
0.6575 | Remote Similarity | NPC471423 |
0.6574 | Remote Similarity | NPC235625 |
0.6543 | Remote Similarity | NPC475127 |
0.6543 | Remote Similarity | NPC473419 |
0.6543 | Remote Similarity | NPC475715 |
0.6535 | Remote Similarity | NPC64168 |
0.65 | Remote Similarity | NPC59221 |
0.6471 | Remote Similarity | NPC471844 |
0.6436 | Remote Similarity | NPC6271 |
0.642 | Remote Similarity | NPC474469 |
0.642 | Remote Similarity | NPC254617 |
0.642 | Remote Similarity | NPC74555 |
0.642 | Remote Similarity | NPC306763 |
0.642 | Remote Similarity | NPC266242 |
0.64 | Remote Similarity | NPC471605 |
0.64 | Remote Similarity | NPC471443 |
0.6389 | Remote Similarity | NPC39041 |
0.6389 | Remote Similarity | NPC471845 |
0.6389 | Remote Similarity | NPC241294 |
0.6389 | Remote Similarity | NPC202722 |
0.6389 | Remote Similarity | NPC471846 |
0.6296 | Remote Similarity | NPC184150 |
0.6296 | Remote Similarity | NPC141156 |
0.6265 | Remote Similarity | NPC115800 |
0.6265 | Remote Similarity | NPC163538 |
0.625 | Remote Similarity | NPC160661 |
0.625 | Remote Similarity | NPC173763 |
0.625 | Remote Similarity | NPC62263 |
0.625 | Remote Similarity | NPC471098 |
0.6211 | Remote Similarity | NPC474593 |
0.6211 | Remote Similarity | NPC475801 |
0.6204 | Remote Similarity | NPC63191 |
0.6204 | Remote Similarity | NPC471202 |
0.62 | Remote Similarity | NPC220234 |
0.6186 | Remote Similarity | NPC469998 |
0.6173 | Remote Similarity | NPC12514 |
0.6173 | Remote Similarity | NPC294883 |
0.6168 | Remote Similarity | NPC30911 |
0.6168 | Remote Similarity | NPC316984 |
0.6146 | Remote Similarity | NPC474576 |
0.6136 | Remote Similarity | NPC473741 |
0.6136 | Remote Similarity | NPC477145 |
0.6125 | Remote Similarity | NPC57420 |
0.6117 | Remote Similarity | NPC265094 |
0.6095 | Remote Similarity | NPC271562 |
0.6087 | Remote Similarity | NPC320936 |
0.6055 | Remote Similarity | NPC130124 |
0.6055 | Remote Similarity | NPC193471 |
0.6049 | Remote Similarity | NPC472609 |
0.6034 | Remote Similarity | NPC474371 |
0.6023 | Remote Similarity | NPC330017 |
0.6019 | Remote Similarity | NPC301148 |
0.6019 | Remote Similarity | NPC5864 |
0.6019 | Remote Similarity | NPC124554 |
0.6 | Remote Similarity | NPC471843 |
0.6 | Remote Similarity | NPC160066 |
0.6 | Remote Similarity | NPC474702 |
0.6 | Remote Similarity | NPC178263 |
0.6 | Remote Similarity | NPC277072 |
0.5982 | Remote Similarity | NPC201889 |
0.5982 | Remote Similarity | NPC106791 |
0.5974 | Remote Similarity | NPC293551 |
0.5962 | Remote Similarity | NPC471260 |
0.5905 | Remote Similarity | NPC124549 |
0.5889 | Remote Similarity | NPC473984 |
0.5888 | Remote Similarity | NPC67009 |
0.5882 | Remote Similarity | NPC476291 |
0.5882 | Remote Similarity | NPC478256 |
0.5882 | Remote Similarity | NPC476285 |
0.5877 | Remote Similarity | NPC11379 |
0.5872 | Remote Similarity | NPC168758 |
0.5872 | Remote Similarity | NPC47857 |
0.5872 | Remote Similarity | NPC181510 |
0.5862 | Remote Similarity | NPC475260 |
0.5862 | Remote Similarity | NPC473699 |
0.5862 | Remote Similarity | NPC263281 |
0.5862 | Remote Similarity | NPC474100 |
0.5862 | Remote Similarity | NPC473775 |
0.5862 | Remote Similarity | NPC178919 |
0.5862 | Remote Similarity | NPC51249 |
0.5862 | Remote Similarity | NPC475232 |
0.5854 | Remote Similarity | NPC233034 |
0.5843 | Remote Similarity | NPC472594 |
0.5841 | Remote Similarity | NPC284656 |
0.5826 | Remote Similarity | NPC23963 |
0.581 | Remote Similarity | NPC198344 |
0.5794 | Remote Similarity | NPC137453 |
0.5773 | Remote Similarity | NPC292345 |
0.5769 | Remote Similarity | NPC188785 |
0.5765 | Remote Similarity | NPC82315 |
0.5765 | Remote Similarity | NPC15864 |
0.5761 | Remote Similarity | NPC470783 |
0.5758 | Remote Similarity | NPC315237 |
0.575 | Remote Similarity | NPC470363 |
0.5747 | Remote Similarity | NPC29326 |
0.5743 | Remote Similarity | NPC150041 |
0.5741 | Remote Similarity | NPC171734 |
0.5732 | Remote Similarity | NPC471419 |
0.5732 | Remote Similarity | NPC163134 |
0.573 | Remote Similarity | NPC228411 |
0.573 | Remote Similarity | NPC476324 |
0.573 | Remote Similarity | NPC476130 |
0.5728 | Remote Similarity | NPC475440 |
0.5726 | Remote Similarity | NPC471255 |
0.5714 | Remote Similarity | NPC78312 |
0.5714 | Remote Similarity | NPC227622 |
0.5714 | Remote Similarity | NPC221764 |
0.5714 | Remote Similarity | NPC194750 |
0.5714 | Remote Similarity | NPC233274 |
0.5714 | Remote Similarity | NPC287638 |
0.5714 | Remote Similarity | NPC135539 |
0.5714 | Remote Similarity | NPC196359 |
0.5701 | Remote Similarity | NPC475637 |
0.5699 | Remote Similarity | NPC246005 |
0.5696 | Remote Similarity | NPC190385 |
0.5686 | Remote Similarity | NPC313821 |
0.5682 | Remote Similarity | NPC43219 |
0.5682 | Remote Similarity | NPC138435 |
0.5679 | Remote Similarity | NPC477644 |
0.567 | Remote Similarity | NPC304454 |
0.5663 | Remote Similarity | NPC314103 |
0.5658 | Remote Similarity | NPC471607 |
0.5647 | Remote Similarity | NPC469925 |
0.5647 | Remote Similarity | NPC34291 |
0.5647 | Remote Similarity | NPC126664 |
0.5634 | Remote Similarity | NPC319680 |
0.5632 | Remote Similarity | NPC33267 |
0.5632 | Remote Similarity | NPC324165 |
0.5632 | Remote Similarity | NPC170963 |
0.5632 | Remote Similarity | NPC126366 |
0.5632 | Remote Similarity | NPC114640 |
0.5632 | Remote Similarity | NPC169976 |
0.5631 | Remote Similarity | NPC476344 |
0.5625 | Remote Similarity | NPC469363 |
0.5618 | Remote Similarity | NPC327272 |
0.5618 | Remote Similarity | NPC86064 |
0.5618 | Remote Similarity | NPC472595 |
0.5614 | Remote Similarity | NPC65045 |
0.561 | Remote Similarity | NPC17455 |
0.5607 | Remote Similarity | NPC323720 |
0.5604 | Remote Similarity | NPC316242 |
0.56 | Remote Similarity | NPC208537 |
0.56 | Remote Similarity | NPC270005 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC233108 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 |
---|---|---|---|
0.7532 | Intermediate Similarity | NPD2695 | Approved |
0.7532 | Intermediate Similarity | NPD2697 | Approved |
0.7532 | Intermediate Similarity | NPD2696 | Approved |
0.7532 | Intermediate Similarity | NPD2694 | Approved |
0.6897 | Remote Similarity | NPD883 | Phase 2 |
0.6897 | Remote Similarity | NPD882 | Phase 2 |
0.6168 | Remote Similarity | NPD2204 | Approved |
0.6024 | Remote Similarity | NPD9444 | Discontinued |
0.6 | Remote Similarity | NPD7916 | Approved |
0.6 | Remote Similarity | NPD7915 | Approved |
0.5943 | Remote Similarity | NPD8140 | Approved |
0.593 | Remote Similarity | NPD6704 | Discontinued |
0.5909 | Remote Similarity | NPD1453 | Phase 1 |
0.587 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD9440 | Discontinued |
0.5854 | Remote Similarity | NPD1457 | Discontinued |
0.5843 | Remote Similarity | NPD2689 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD1146 | Phase 2 |
0.5802 | Remote Similarity | NPD9676 | Phase 3 |
0.5794 | Remote Similarity | NPD8307 | Discontinued |
0.5773 | Remote Similarity | NPD618 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD376 | Approved |
0.573 | Remote Similarity | NPD11 | Approved |
0.5714 | Remote Similarity | NPD8082 | Approved |
0.5714 | Remote Similarity | NPD617 | Approved |
0.5714 | Remote Similarity | NPD8086 | Approved |
0.5714 | Remote Similarity | NPD8085 | Approved |
0.5714 | Remote Similarity | NPD8084 | Approved |
0.5714 | Remote Similarity | NPD8083 | Approved |
0.5714 | Remote Similarity | NPD8138 | Approved |
0.5714 | Remote Similarity | NPD8868 | Approved |
0.5714 | Remote Similarity | NPD8139 | Approved |
0.57 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD2220 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD3189 | Approved |
0.5686 | Remote Similarity | NPD3191 | Approved |
0.5686 | Remote Similarity | NPD3190 | Approved |
0.5682 | Remote Similarity | NPD355 | Phase 2 |
0.5679 | Remote Similarity | NPD393 | Approved |
0.5663 | Remote Similarity | NPD4272 | Discontinued |
0.566 | Remote Similarity | NPD8276 | Approved |
0.566 | Remote Similarity | NPD8275 | Approved |
0.5647 | Remote Similarity | NPD9443 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD9454 | Approved |
0.5636 | Remote Similarity | NPD8087 | Discontinued |
0.5631 | Remote Similarity | NPD8038 | Phase 2 |
0.5631 | Remote Similarity | NPD3714 | Approved |
0.5631 | Remote Similarity | NPD3715 | Approved |
0.5631 | Remote Similarity | NPD3713 | Approved |
0.5607 | Remote Similarity | NPD8081 | Approved |
0.5604 | Remote Similarity | NPD3160 | Suspended |
PubChem CID   | 656392 |
ChEMBL   | CHEMBL480464 |
ZINC   |
Molecular Weight:   | 255.18 |
ALogP:   | -1.9843 |
MLogP:   | 2.56 |
XLogP:   | 1.73 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 49.77 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 18 |