Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | ED50 | > | 10 | ug/ml | Open TG-GATES in vivo data: Hematology |
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 NPC4881 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 |
---|---|---|
0.8462 | Intermediate Similarity | NPC91044 |
0.807 | Intermediate Similarity | NPC273023 |
0.7931 | Intermediate Similarity | NPC104138 |
0.7931 | Intermediate Similarity | NPC24216 |
0.7931 | Intermediate Similarity | NPC261158 |
0.7931 | Intermediate Similarity | NPC306420 |
0.7857 | Intermediate Similarity | NPC195986 |
0.7759 | Intermediate Similarity | NPC297020 |
0.7719 | Intermediate Similarity | NPC303672 |
0.75 | Intermediate Similarity | NPC267692 |
0.75 | Intermediate Similarity | NPC307435 |
0.7458 | Intermediate Similarity | NPC471992 |
0.7368 | Intermediate Similarity | NPC243539 |
0.7368 | Intermediate Similarity | NPC54542 |
0.7368 | Intermediate Similarity | NPC304223 |
0.7368 | Intermediate Similarity | NPC145032 |
0.7368 | Intermediate Similarity | NPC267340 |
0.7258 | Intermediate Similarity | NPC312826 |
0.7167 | Intermediate Similarity | NPC471991 |
0.7119 | Intermediate Similarity | NPC119655 |
0.7049 | Intermediate Similarity | NPC477049 |
0.7 | Intermediate Similarity | NPC124382 |
0.7 | Intermediate Similarity | NPC13011 |
0.7 | Intermediate Similarity | NPC163912 |
0.7 | Intermediate Similarity | NPC123669 |
0.7 | Intermediate Similarity | NPC167759 |
0.7 | Intermediate Similarity | NPC305288 |
0.7 | Intermediate Similarity | NPC56028 |
0.6949 | Remote Similarity | NPC208638 |
0.6897 | Remote Similarity | NPC26960 |
0.6897 | Remote Similarity | NPC182102 |
0.6875 | Remote Similarity | NPC6795 |
0.6866 | Remote Similarity | NPC187315 |
0.678 | Remote Similarity | NPC261571 |
0.6774 | Remote Similarity | NPC55412 |
0.6774 | Remote Similarity | NPC249645 |
0.6721 | Remote Similarity | NPC246519 |
0.6721 | Remote Similarity | NPC184014 |
0.6721 | Remote Similarity | NPC44193 |
0.6721 | Remote Similarity | NPC132669 |
0.6721 | Remote Similarity | NPC269800 |
0.6721 | Remote Similarity | NPC14234 |
0.6716 | Remote Similarity | NPC477525 |
0.6667 | Remote Similarity | NPC188341 |
0.6667 | Remote Similarity | NPC68014 |
0.6667 | Remote Similarity | NPC49494 |
0.6615 | Remote Similarity | NPC130807 |
0.6615 | Remote Similarity | NPC176621 |
0.6615 | Remote Similarity | NPC309877 |
0.6613 | Remote Similarity | NPC329686 |
0.6515 | Remote Similarity | NPC469728 |
0.65 | Remote Similarity | NPC244038 |
0.6406 | Remote Similarity | NPC245650 |
0.6349 | Remote Similarity | NPC474644 |
0.6316 | Remote Similarity | NPC138935 |
0.6269 | Remote Similarity | NPC324077 |
0.6269 | Remote Similarity | NPC329416 |
0.6269 | Remote Similarity | NPC317025 |
0.6269 | Remote Similarity | NPC326645 |
0.6269 | Remote Similarity | NPC317177 |
0.6269 | Remote Similarity | NPC29468 |
0.6269 | Remote Similarity | NPC225342 |
0.625 | Remote Similarity | NPC474643 |
0.625 | Remote Similarity | NPC88079 |
0.625 | Remote Similarity | NPC194586 |
0.625 | Remote Similarity | NPC51758 |
0.625 | Remote Similarity | NPC108494 |
0.625 | Remote Similarity | NPC473865 |
0.625 | Remote Similarity | NPC209279 |
0.625 | Remote Similarity | NPC177470 |
0.625 | Remote Similarity | NPC180871 |
0.625 | Remote Similarity | NPC68889 |
0.625 | Remote Similarity | NPC67761 |
0.6232 | Remote Similarity | NPC308844 |
0.6203 | Remote Similarity | NPC14326 |
0.6176 | Remote Similarity | NPC471023 |
0.6154 | Remote Similarity | NPC11130 |
0.6143 | Remote Similarity | NPC129995 |
0.6143 | Remote Similarity | NPC315141 |
0.6129 | Remote Similarity | NPC294358 |
0.6129 | Remote Similarity | NPC40417 |
0.6111 | Remote Similarity | NPC239039 |
0.6111 | Remote Similarity | NPC266298 |
0.6102 | Remote Similarity | NPC180575 |
0.6087 | Remote Similarity | NPC110241 |
0.6087 | Remote Similarity | NPC150162 |
0.6071 | Remote Similarity | NPC218918 |
0.6071 | Remote Similarity | NPC144023 |
0.6071 | Remote Similarity | NPC120926 |
0.6061 | Remote Similarity | NPC210999 |
0.6061 | Remote Similarity | NPC181872 |
0.6038 | Remote Similarity | NPC282119 |
0.6032 | Remote Similarity | NPC476679 |
0.6026 | Remote Similarity | NPC314854 |
0.6026 | Remote Similarity | NPC313911 |
0.6 | Remote Similarity | NPC187619 |
0.6 | Remote Similarity | NPC255042 |
0.6 | Remote Similarity | NPC29091 |
0.6 | Remote Similarity | NPC477866 |
0.6 | Remote Similarity | NPC182840 |
0.6 | Remote Similarity | NPC15934 |
0.6 | Remote Similarity | NPC103213 |
0.6 | Remote Similarity | NPC477865 |
0.5972 | Remote Similarity | NPC249713 |
0.597 | Remote Similarity | NPC122239 |
0.597 | Remote Similarity | NPC309825 |
0.5965 | Remote Similarity | NPC206906 |
0.5942 | Remote Similarity | NPC182758 |
0.5942 | Remote Similarity | NPC174956 |
0.5942 | Remote Similarity | NPC77891 |
0.5932 | Remote Similarity | NPC269074 |
0.5915 | Remote Similarity | NPC255781 |
0.5902 | Remote Similarity | NPC106990 |
0.5893 | Remote Similarity | NPC56917 |
0.5893 | Remote Similarity | NPC183670 |
0.5882 | Remote Similarity | NPC47840 |
0.5882 | Remote Similarity | NPC471081 |
0.5882 | Remote Similarity | NPC234264 |
0.5882 | Remote Similarity | NPC240506 |
0.5873 | Remote Similarity | NPC157781 |
0.5873 | Remote Similarity | NPC181255 |
0.5873 | Remote Similarity | NPC306195 |
0.5873 | Remote Similarity | NPC35519 |
0.5873 | Remote Similarity | NPC179169 |
0.5873 | Remote Similarity | NPC35756 |
0.5867 | Remote Similarity | NPC314678 |
0.5862 | Remote Similarity | NPC470439 |
0.5857 | Remote Similarity | NPC300593 |
0.5857 | Remote Similarity | NPC253468 |
0.5857 | Remote Similarity | NPC235311 |
0.5846 | Remote Similarity | NPC298299 |
0.5846 | Remote Similarity | NPC130209 |
0.5846 | Remote Similarity | NPC148163 |
0.5846 | Remote Similarity | NPC251666 |
0.5846 | Remote Similarity | NPC148216 |
0.5846 | Remote Similarity | NPC227135 |
0.5846 | Remote Similarity | NPC232247 |
0.5833 | Remote Similarity | NPC254886 |
0.5833 | Remote Similarity | NPC278895 |
0.5821 | Remote Similarity | NPC155025 |
0.5806 | Remote Similarity | NPC329773 |
0.5806 | Remote Similarity | NPC474460 |
0.5802 | Remote Similarity | NPC224072 |
0.5802 | Remote Similarity | NPC39966 |
0.5797 | Remote Similarity | NPC210346 |
0.5789 | Remote Similarity | NPC269823 |
0.5789 | Remote Similarity | NPC188596 |
0.5783 | Remote Similarity | NPC3210 |
0.5735 | Remote Similarity | NPC150505 |
0.5735 | Remote Similarity | NPC475931 |
0.5735 | Remote Similarity | NPC74617 |
0.5714 | Remote Similarity | NPC474495 |
0.5714 | Remote Similarity | NPC26906 |
0.5714 | Remote Similarity | NPC473759 |
0.5714 | Remote Similarity | NPC474155 |
0.5714 | Remote Similarity | NPC214584 |
0.5714 | Remote Similarity | NPC55068 |
0.5714 | Remote Similarity | NPC81615 |
0.5714 | Remote Similarity | NPC59408 |
0.5714 | Remote Similarity | NPC473672 |
0.5714 | Remote Similarity | NPC124112 |
0.5714 | Remote Similarity | NPC71053 |
0.5714 | Remote Similarity | NPC473508 |
0.5694 | Remote Similarity | NPC308294 |
0.5694 | Remote Similarity | NPC142423 |
0.5694 | Remote Similarity | NPC267027 |
0.5694 | Remote Similarity | NPC230107 |
0.569 | Remote Similarity | NPC304151 |
0.569 | Remote Similarity | NPC213538 |
0.569 | Remote Similarity | NPC256766 |
0.5676 | Remote Similarity | NPC90115 |
0.5676 | Remote Similarity | NPC239373 |
0.5676 | Remote Similarity | NPC45060 |
0.5676 | Remote Similarity | NPC471022 |
0.5676 | Remote Similarity | NPC217570 |
0.5676 | Remote Similarity | NPC329989 |
0.5676 | Remote Similarity | NPC280065 |
0.5667 | Remote Similarity | NPC24824 |
0.5667 | Remote Similarity | NPC165651 |
0.5667 | Remote Similarity | NPC210560 |
0.5667 | Remote Similarity | NPC299114 |
0.5652 | Remote Similarity | NPC99487 |
0.5652 | Remote Similarity | NPC66020 |
0.5647 | Remote Similarity | NPC473031 |
0.5645 | Remote Similarity | NPC31194 |
0.5645 | Remote Similarity | NPC248884 |
0.5645 | Remote Similarity | NPC85079 |
0.5634 | Remote Similarity | NPC475704 |
0.5625 | Remote Similarity | NPC71506 |
0.5625 | Remote Similarity | NPC177112 |
0.5625 | Remote Similarity | NPC471597 |
0.5604 | Remote Similarity | NPC167419 |
0.56 | Remote Similarity | NPC316029 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC4881 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 |
---|---|---|---|
0.6774 | Remote Similarity | NPD4219 | Approved |
0.6269 | Remote Similarity | NPD4192 | Approved |
0.6269 | Remote Similarity | NPD4194 | Approved |
0.6269 | Remote Similarity | NPD4191 | Approved |
0.6269 | Remote Similarity | NPD4193 | Approved |
0.5938 | Remote Similarity | NPD9652 | Approved |
0.5902 | Remote Similarity | NPD4220 | Pre-registration |
0.5846 | Remote Similarity | NPD342 | Phase 1 |
0.5714 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
PubChem CID   | 16091097 |
ChEMBL   | CHEMBL443412 |
ZINC   |
Molecular Weight:   | 223.19 |
ALogP:   | 0.482 |
MLogP:   | 2.78 |
XLogP:   | 6.041 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 44.08 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |