Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29956 | Sanicula lamelligera | Species | Apiaceae | Eukaryota | Whole plants | Mountain Emei, Sichuan Province, China | 2008-OCT |
PMID[21561060] |
NPO29956 | Sanicula lamelligera | Species | Apiaceae | Eukaryota | Whole Plants |
PMID[21561060] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT659 | Cell Line | SMMC-7721 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | > | 64400 | nM | 21561060 |
NPT2 | Others | Unspecified | Ratio CC50/EC50 | = | 2.9 | 21561060 | ||
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | = | 125600 | nM | 21561060 |
NPT1452 | Cell Line | C8166 | Homo sapiens | CC50 | = | 357900 | nM | 21561060 |
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 NPC199937 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 |
---|---|---|
0.8889 | High Similarity | NPC165069 |
0.8387 | Intermediate Similarity | NPC475968 |
0.8065 | Intermediate Similarity | NPC291147 |
0.8065 | Intermediate Similarity | NPC119425 |
0.8056 | Intermediate Similarity | NPC188793 |
0.7969 | Intermediate Similarity | NPC475412 |
0.7879 | Intermediate Similarity | NPC476702 |
0.7867 | Intermediate Similarity | NPC473257 |
0.7846 | Intermediate Similarity | NPC172622 |
0.7846 | Intermediate Similarity | NPC475807 |
0.7742 | Intermediate Similarity | NPC45387 |
0.7733 | Intermediate Similarity | NPC117137 |
0.7733 | Intermediate Similarity | NPC66766 |
0.7632 | Intermediate Similarity | NPC216941 |
0.7532 | Intermediate Similarity | NPC475849 |
0.75 | Intermediate Similarity | NPC16449 |
0.7436 | Intermediate Similarity | NPC474266 |
0.7391 | Intermediate Similarity | NPC469328 |
0.7333 | Intermediate Similarity | NPC127997 |
0.7333 | Intermediate Similarity | NPC95969 |
0.7308 | Intermediate Similarity | NPC212340 |
0.7297 | Intermediate Similarity | NPC131584 |
0.7297 | Intermediate Similarity | NPC472950 |
0.7297 | Intermediate Similarity | NPC139765 |
0.7297 | Intermediate Similarity | NPC472952 |
0.726 | Intermediate Similarity | NPC470660 |
0.726 | Intermediate Similarity | NPC470659 |
0.7246 | Intermediate Similarity | NPC472946 |
0.7231 | Intermediate Similarity | NPC322148 |
0.7215 | Intermediate Similarity | NPC260852 |
0.72 | Intermediate Similarity | NPC470145 |
0.7162 | Intermediate Similarity | NPC472944 |
0.7162 | Intermediate Similarity | NPC472945 |
0.716 | Intermediate Similarity | NPC64862 |
0.7143 | Intermediate Similarity | NPC81074 |
0.7143 | Intermediate Similarity | NPC477282 |
0.7123 | Intermediate Similarity | NPC8004 |
0.7123 | Intermediate Similarity | NPC127283 |
0.7105 | Intermediate Similarity | NPC64081 |
0.7105 | Intermediate Similarity | NPC476233 |
0.7105 | Intermediate Similarity | NPC11907 |
0.7105 | Intermediate Similarity | NPC474574 |
0.7105 | Intermediate Similarity | NPC133596 |
0.7097 | Intermediate Similarity | NPC474331 |
0.7089 | Intermediate Similarity | NPC475388 |
0.7067 | Intermediate Similarity | NPC231680 |
0.7067 | Intermediate Similarity | NPC91387 |
0.7067 | Intermediate Similarity | NPC270306 |
0.7059 | Intermediate Similarity | NPC185547 |
0.7059 | Intermediate Similarity | NPC95804 |
0.7042 | Intermediate Similarity | NPC161612 |
0.7042 | Intermediate Similarity | NPC33583 |
0.7027 | Intermediate Similarity | NPC476709 |
0.7013 | Intermediate Similarity | NPC471769 |
0.7 | Intermediate Similarity | NPC29342 |
0.7 | Intermediate Similarity | NPC2572 |
0.6974 | Remote Similarity | NPC279575 |
0.6951 | Remote Similarity | NPC472745 |
0.6933 | Remote Similarity | NPC470151 |
0.6933 | Remote Similarity | NPC470630 |
0.6933 | Remote Similarity | NPC10476 |
0.6933 | Remote Similarity | NPC192501 |
0.6933 | Remote Similarity | NPC228994 |
0.6923 | Remote Similarity | NPC170595 |
0.6914 | Remote Similarity | NPC474156 |
0.6892 | Remote Similarity | NPC131506 |
0.6892 | Remote Similarity | NPC157777 |
0.6875 | Remote Similarity | NPC161473 |
0.6842 | Remote Similarity | NPC196136 |
0.6842 | Remote Similarity | NPC243027 |
0.6842 | Remote Similarity | NPC158208 |
0.6842 | Remote Similarity | NPC317242 |
0.6835 | Remote Similarity | NPC472943 |
0.6835 | Remote Similarity | NPC186588 |
0.6835 | Remote Similarity | NPC472951 |
0.68 | Remote Similarity | NPC248427 |
0.68 | Remote Similarity | NPC472341 |
0.68 | Remote Similarity | NPC473238 |
0.6795 | Remote Similarity | NPC147993 |
0.679 | Remote Similarity | NPC470070 |
0.6765 | Remote Similarity | NPC185116 |
0.6753 | Remote Similarity | NPC163597 |
0.6714 | Remote Similarity | NPC209686 |
0.6714 | Remote Similarity | NPC236099 |
0.6714 | Remote Similarity | NPC249078 |
0.6712 | Remote Similarity | NPC474756 |
0.6711 | Remote Similarity | NPC475458 |
0.6711 | Remote Similarity | NPC190859 |
0.6709 | Remote Similarity | NPC287452 |
0.6709 | Remote Similarity | NPC269333 |
0.6667 | Remote Similarity | NPC477227 |
0.6667 | Remote Similarity | NPC283655 |
0.6667 | Remote Similarity | NPC83108 |
0.6667 | Remote Similarity | NPC476703 |
0.6667 | Remote Similarity | NPC202937 |
0.6667 | Remote Similarity | NPC178223 |
0.6667 | Remote Similarity | NPC192046 |
0.6667 | Remote Similarity | NPC302578 |
0.6667 | Remote Similarity | NPC89069 |
0.6667 | Remote Similarity | NPC185915 |
0.6667 | Remote Similarity | NPC214030 |
0.6667 | Remote Similarity | NPC41886 |
0.6667 | Remote Similarity | NPC105208 |
0.6667 | Remote Similarity | NPC277917 |
0.6667 | Remote Similarity | NPC166894 |
0.6667 | Remote Similarity | NPC470071 |
0.6667 | Remote Similarity | NPC195530 |
0.6667 | Remote Similarity | NPC187471 |
0.6667 | Remote Similarity | NPC202688 |
0.6667 | Remote Similarity | NPC60018 |
0.6667 | Remote Similarity | NPC252182 |
0.6667 | Remote Similarity | NPC154043 |
0.6667 | Remote Similarity | NPC1340 |
0.6667 | Remote Similarity | NPC128951 |
0.6627 | Remote Similarity | NPC290612 |
0.6622 | Remote Similarity | NPC107919 |
0.6622 | Remote Similarity | NPC299948 |
0.6622 | Remote Similarity | NPC241085 |
0.6622 | Remote Similarity | NPC99264 |
0.6622 | Remote Similarity | NPC66407 |
0.6622 | Remote Similarity | NPC470830 |
0.6618 | Remote Similarity | NPC215671 |
0.6618 | Remote Similarity | NPC87296 |
0.6618 | Remote Similarity | NPC475515 |
0.6618 | Remote Similarity | NPC476209 |
0.6588 | Remote Similarity | NPC22376 |
0.6585 | Remote Similarity | NPC472744 |
0.6585 | Remote Similarity | NPC69953 |
0.6585 | Remote Similarity | NPC259173 |
0.6585 | Remote Similarity | NPC477285 |
0.6585 | Remote Similarity | NPC111582 |
0.6582 | Remote Similarity | NPC67657 |
0.6582 | Remote Similarity | NPC18857 |
0.6582 | Remote Similarity | NPC470014 |
0.6579 | Remote Similarity | NPC470610 |
0.6579 | Remote Similarity | NPC143576 |
0.6579 | Remote Similarity | NPC153719 |
0.6552 | Remote Similarity | NPC474699 |
0.6548 | Remote Similarity | NPC474448 |
0.6548 | Remote Similarity | NPC155531 |
0.6548 | Remote Similarity | NPC215968 |
0.6538 | Remote Similarity | NPC170148 |
0.6538 | Remote Similarity | NPC126969 |
0.6533 | Remote Similarity | NPC282454 |
0.6533 | Remote Similarity | NPC471781 |
0.6533 | Remote Similarity | NPC470041 |
0.6528 | Remote Similarity | NPC190827 |
0.6528 | Remote Similarity | NPC243469 |
0.6528 | Remote Similarity | NPC300442 |
0.6528 | Remote Similarity | NPC250836 |
0.6528 | Remote Similarity | NPC475943 |
0.6522 | Remote Similarity | NPC52431 |
0.6522 | Remote Similarity | NPC310228 |
0.6506 | Remote Similarity | NPC320824 |
0.6506 | Remote Similarity | NPC242016 |
0.6506 | Remote Similarity | NPC86238 |
0.65 | Remote Similarity | NPC245029 |
0.65 | Remote Similarity | NPC31302 |
0.6494 | Remote Similarity | NPC48795 |
0.6494 | Remote Similarity | NPC215030 |
0.6494 | Remote Similarity | NPC308489 |
0.6494 | Remote Similarity | NPC304499 |
0.6477 | Remote Similarity | NPC137461 |
0.6471 | Remote Similarity | NPC210658 |
0.6471 | Remote Similarity | NPC161928 |
0.6471 | Remote Similarity | NPC140446 |
0.6471 | Remote Similarity | NPC43912 |
0.6471 | Remote Similarity | NPC29976 |
0.6471 | Remote Similarity | NPC472396 |
0.6471 | Remote Similarity | NPC5943 |
0.6471 | Remote Similarity | NPC150713 |
0.6463 | Remote Similarity | NPC102156 |
0.6463 | Remote Similarity | NPC477286 |
0.6463 | Remote Similarity | NPC242771 |
0.6463 | Remote Similarity | NPC100366 |
0.6463 | Remote Similarity | NPC311642 |
0.6463 | Remote Similarity | NPC148740 |
0.6463 | Remote Similarity | NPC164289 |
0.6463 | Remote Similarity | NPC286719 |
0.6456 | Remote Similarity | NPC471454 |
0.6447 | Remote Similarity | NPC109457 |
0.6447 | Remote Similarity | NPC473279 |
0.6447 | Remote Similarity | NPC157422 |
0.6447 | Remote Similarity | NPC100586 |
0.6447 | Remote Similarity | NPC127094 |
0.6429 | Remote Similarity | NPC266651 |
0.6418 | Remote Similarity | NPC471269 |
0.641 | Remote Similarity | NPC179922 |
0.641 | Remote Similarity | NPC186851 |
0.6404 | Remote Similarity | NPC30687 |
0.64 | Remote Similarity | NPC129829 |
0.64 | Remote Similarity | NPC477820 |
0.64 | Remote Similarity | NPC470833 |
0.64 | Remote Similarity | NPC254037 |
0.6395 | Remote Similarity | NPC470009 |
0.6395 | Remote Similarity | NPC128475 |
0.6395 | Remote Similarity | NPC473436 |
0.6389 | Remote Similarity | NPC219940 |
0.6389 | Remote Similarity | NPC94897 |
0.6386 | Remote Similarity | NPC292458 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC199937 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 |
---|---|---|---|
0.7101 | Intermediate Similarity | NPD371 | Approved |
0.6622 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6279 | Remote Similarity | NPD7524 | Approved |
0.6118 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6032 | Remote Similarity | NPD386 | Approved |
0.6032 | Remote Similarity | NPD388 | Approved |
0.6024 | Remote Similarity | NPD6928 | Phase 2 |
0.6 | Remote Similarity | NPD6695 | Phase 3 |
0.5938 | Remote Similarity | NPD384 | Approved |
0.5938 | Remote Similarity | NPD385 | Approved |
0.5934 | Remote Similarity | NPD8171 | Discontinued |
0.5926 | Remote Similarity | NPD6933 | Approved |
0.5897 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD4787 | Phase 1 |
0.5875 | Remote Similarity | NPD1811 | Approved |
0.5875 | Remote Similarity | NPD1810 | Approved |
0.5867 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD6930 | Phase 2 |
0.5833 | Remote Similarity | NPD6931 | Approved |
0.573 | Remote Similarity | NPD7750 | Discontinued |
0.5714 | Remote Similarity | NPD6929 | Approved |
0.5679 | Remote Similarity | NPD6924 | Approved |
0.5679 | Remote Similarity | NPD6926 | Approved |
0.567 | Remote Similarity | NPD1700 | Approved |
0.5663 | Remote Similarity | NPD6932 | Approved |
0.5634 | Remote Similarity | NPD2267 | Suspended |
0.5625 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5616 | Remote Similarity | NPD3198 | Approved |
0.561 | Remote Similarity | NPD3702 | Approved |
0.561 | Remote Similarity | NPD3703 | Phase 2 |
PubChem CID   | 56665185 |
ChEMBL   | CHEMBL1814424 |
ZINC   |
Molecular Weight:   | 254.19 |
ALogP:   | -0.6585 |
MLogP:   | 2.78 |
XLogP:   | 2.522 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 52.99 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 18 |