Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 4 | ug/ml | 21684166 |
NPT805 | Protein Complex | GABA-A receptor; anion channel | Rattus norvegicus | IC50 | = | 3050 | nM | 24075143 |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 7.6 | mg/kg | 20733045 |
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 NPC300121 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 |
---|---|---|
0.9038 | High Similarity | NPC284224 |
0.8113 | Intermediate Similarity | NPC225974 |
0.8 | Intermediate Similarity | NPC61177 |
0.7925 | Intermediate Similarity | NPC302310 |
0.7857 | Intermediate Similarity | NPC322461 |
0.7778 | Intermediate Similarity | NPC291437 |
0.7778 | Intermediate Similarity | NPC328784 |
0.7692 | Intermediate Similarity | NPC276825 |
0.7586 | Intermediate Similarity | NPC325977 |
0.75 | Intermediate Similarity | NPC473705 |
0.7458 | Intermediate Similarity | NPC268185 |
0.7458 | Intermediate Similarity | NPC472445 |
0.7455 | Intermediate Similarity | NPC473487 |
0.7455 | Intermediate Similarity | NPC20934 |
0.7455 | Intermediate Similarity | NPC288381 |
0.7414 | Intermediate Similarity | NPC471239 |
0.7358 | Intermediate Similarity | NPC474202 |
0.7358 | Intermediate Similarity | NPC474362 |
0.7321 | Intermediate Similarity | NPC59408 |
0.7321 | Intermediate Similarity | NPC71053 |
0.7288 | Intermediate Similarity | NPC324224 |
0.7288 | Intermediate Similarity | NPC472808 |
0.7273 | Intermediate Similarity | NPC267110 |
0.7258 | Intermediate Similarity | NPC168407 |
0.7241 | Intermediate Similarity | NPC110732 |
0.7213 | Intermediate Similarity | NPC329550 |
0.717 | Intermediate Similarity | NPC108195 |
0.717 | Intermediate Similarity | NPC267514 |
0.717 | Intermediate Similarity | NPC145755 |
0.7167 | Intermediate Similarity | NPC193975 |
0.7167 | Intermediate Similarity | NPC71755 |
0.7143 | Intermediate Similarity | NPC474391 |
0.7097 | Intermediate Similarity | NPC174447 |
0.7097 | Intermediate Similarity | NPC235242 |
0.7097 | Intermediate Similarity | NPC122521 |
0.7097 | Intermediate Similarity | NPC251042 |
0.7069 | Intermediate Similarity | NPC217188 |
0.7018 | Intermediate Similarity | NPC151782 |
0.7015 | Intermediate Similarity | NPC143396 |
0.6984 | Remote Similarity | NPC40082 |
0.6964 | Remote Similarity | NPC153538 |
0.6949 | Remote Similarity | NPC189677 |
0.6935 | Remote Similarity | NPC322002 |
0.6935 | Remote Similarity | NPC322186 |
0.6935 | Remote Similarity | NPC222852 |
0.6923 | Remote Similarity | NPC296436 |
0.6923 | Remote Similarity | NPC176215 |
0.6909 | Remote Similarity | NPC180575 |
0.6909 | Remote Similarity | NPC157096 |
0.6909 | Remote Similarity | NPC42304 |
0.6885 | Remote Similarity | NPC44542 |
0.6875 | Remote Similarity | NPC322457 |
0.6852 | Remote Similarity | NPC477686 |
0.6842 | Remote Similarity | NPC72699 |
0.6833 | Remote Similarity | NPC317899 |
0.6825 | Remote Similarity | NPC327112 |
0.6818 | Remote Similarity | NPC83965 |
0.6792 | Remote Similarity | NPC206906 |
0.6792 | Remote Similarity | NPC208936 |
0.6786 | Remote Similarity | NPC324812 |
0.6786 | Remote Similarity | NPC471958 |
0.678 | Remote Similarity | NPC34577 |
0.6774 | Remote Similarity | NPC281195 |
0.6774 | Remote Similarity | NPC469373 |
0.6765 | Remote Similarity | NPC236208 |
0.6731 | Remote Similarity | NPC323278 |
0.6731 | Remote Similarity | NPC329762 |
0.6731 | Remote Similarity | NPC103236 |
0.6731 | Remote Similarity | NPC27444 |
0.6727 | Remote Similarity | NPC191337 |
0.6727 | Remote Similarity | NPC117572 |
0.6724 | Remote Similarity | NPC28205 |
0.6724 | Remote Similarity | NPC284212 |
0.6724 | Remote Similarity | NPC477458 |
0.6724 | Remote Similarity | NPC93639 |
0.6719 | Remote Similarity | NPC260573 |
0.6716 | Remote Similarity | NPC106613 |
0.6667 | Remote Similarity | NPC318306 |
0.6667 | Remote Similarity | NPC48058 |
0.6667 | Remote Similarity | NPC248884 |
0.6667 | Remote Similarity | NPC106851 |
0.6667 | Remote Similarity | NPC256209 |
0.6667 | Remote Similarity | NPC473652 |
0.6667 | Remote Similarity | NPC274927 |
0.6667 | Remote Similarity | NPC329249 |
0.6667 | Remote Similarity | NPC85079 |
0.6667 | Remote Similarity | NPC270796 |
0.6667 | Remote Similarity | NPC31194 |
0.6667 | Remote Similarity | NPC40434 |
0.6667 | Remote Similarity | NPC49059 |
0.6667 | Remote Similarity | NPC34873 |
0.662 | Remote Similarity | NPC474321 |
0.6613 | Remote Similarity | NPC225929 |
0.6613 | Remote Similarity | NPC192843 |
0.6613 | Remote Similarity | NPC281230 |
0.6613 | Remote Similarity | NPC323436 |
0.661 | Remote Similarity | NPC303765 |
0.661 | Remote Similarity | NPC129458 |
0.6607 | Remote Similarity | NPC124183 |
0.6607 | Remote Similarity | NPC55063 |
0.6607 | Remote Similarity | NPC19834 |
0.6607 | Remote Similarity | NPC35141 |
0.6604 | Remote Similarity | NPC270170 |
0.6604 | Remote Similarity | NPC7754 |
0.6567 | Remote Similarity | NPC146811 |
0.6567 | Remote Similarity | NPC137163 |
0.6562 | Remote Similarity | NPC328311 |
0.6557 | Remote Similarity | NPC274290 |
0.6557 | Remote Similarity | NPC473863 |
0.6557 | Remote Similarity | NPC474913 |
0.6552 | Remote Similarity | NPC118788 |
0.6552 | Remote Similarity | NPC15325 |
0.6552 | Remote Similarity | NPC473768 |
0.6545 | Remote Similarity | NPC101616 |
0.6538 | Remote Similarity | NPC217923 |
0.6528 | Remote Similarity | NPC260396 |
0.6522 | Remote Similarity | NPC471022 |
0.6515 | Remote Similarity | NPC470320 |
0.6515 | Remote Similarity | NPC476658 |
0.6515 | Remote Similarity | NPC226592 |
0.65 | Remote Similarity | NPC10081 |
0.65 | Remote Similarity | NPC477724 |
0.65 | Remote Similarity | NPC26102 |
0.65 | Remote Similarity | NPC187361 |
0.65 | Remote Similarity | NPC225066 |
0.6491 | Remote Similarity | NPC91495 |
0.6481 | Remote Similarity | NPC304151 |
0.6481 | Remote Similarity | NPC149668 |
0.6479 | Remote Similarity | NPC284006 |
0.6462 | Remote Similarity | NPC64985 |
0.6462 | Remote Similarity | NPC269737 |
0.6462 | Remote Similarity | NPC26810 |
0.6452 | Remote Similarity | NPC187777 |
0.6452 | Remote Similarity | NPC327388 |
0.6452 | Remote Similarity | NPC179764 |
0.6441 | Remote Similarity | NPC43053 |
0.6441 | Remote Similarity | NPC129263 |
0.6441 | Remote Similarity | NPC470411 |
0.6429 | Remote Similarity | NPC269074 |
0.6429 | Remote Similarity | NPC318766 |
0.6418 | Remote Similarity | NPC317881 |
0.6418 | Remote Similarity | NPC476655 |
0.6418 | Remote Similarity | NPC323045 |
0.6418 | Remote Similarity | NPC136164 |
0.6418 | Remote Similarity | NPC7940 |
0.6418 | Remote Similarity | NPC476654 |
0.6418 | Remote Similarity | NPC245947 |
0.6418 | Remote Similarity | NPC255863 |
0.6418 | Remote Similarity | NPC476657 |
0.6406 | Remote Similarity | NPC278202 |
0.6393 | Remote Similarity | NPC474127 |
0.6393 | Remote Similarity | NPC137538 |
0.6393 | Remote Similarity | NPC473532 |
0.6389 | Remote Similarity | NPC227396 |
0.6379 | Remote Similarity | NPC125122 |
0.6379 | Remote Similarity | NPC471280 |
0.6379 | Remote Similarity | NPC471275 |
0.6379 | Remote Similarity | NPC149821 |
0.6379 | Remote Similarity | NPC5413 |
0.6379 | Remote Similarity | NPC471276 |
0.6377 | Remote Similarity | NPC309466 |
0.6364 | Remote Similarity | NPC29697 |
0.6364 | Remote Similarity | NPC473737 |
0.6364 | Remote Similarity | NPC190049 |
0.6364 | Remote Similarity | NPC216921 |
0.6349 | Remote Similarity | NPC323498 |
0.6349 | Remote Similarity | NPC211752 |
0.6349 | Remote Similarity | NPC265551 |
0.6349 | Remote Similarity | NPC283502 |
0.6349 | Remote Similarity | NPC323597 |
0.6349 | Remote Similarity | NPC135863 |
0.6349 | Remote Similarity | NPC212730 |
0.6346 | Remote Similarity | NPC92863 |
0.6346 | Remote Similarity | NPC180840 |
0.6346 | Remote Similarity | NPC155880 |
0.6338 | Remote Similarity | NPC95863 |
0.6338 | Remote Similarity | NPC319163 |
0.6338 | Remote Similarity | NPC67076 |
0.6338 | Remote Similarity | NPC293114 |
0.6333 | Remote Similarity | NPC137396 |
0.6333 | Remote Similarity | NPC229046 |
0.6333 | Remote Similarity | NPC46565 |
0.6333 | Remote Similarity | NPC142092 |
0.6324 | Remote Similarity | NPC476656 |
0.6324 | Remote Similarity | NPC476659 |
0.6316 | Remote Similarity | NPC8610 |
0.6316 | Remote Similarity | NPC262558 |
0.6308 | Remote Similarity | NPC321919 |
0.6308 | Remote Similarity | NPC143857 |
0.6308 | Remote Similarity | NPC229252 |
0.6308 | Remote Similarity | NPC243532 |
0.6308 | Remote Similarity | NPC81896 |
0.6296 | Remote Similarity | NPC33489 |
0.629 | Remote Similarity | NPC45626 |
0.629 | Remote Similarity | NPC470963 |
0.629 | Remote Similarity | NPC475353 |
0.629 | Remote Similarity | NPC146551 |
0.629 | Remote Similarity | NPC477726 |
0.629 | Remote Similarity | NPC473735 |
0.629 | Remote Similarity | NPC152668 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC300121 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 |
---|---|---|---|
0.6833 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6825 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6727 | Remote Similarity | NPD39 | Approved |
0.6727 | Remote Similarity | NPD4222 | Approved |
0.6667 | Remote Similarity | NPD5326 | Phase 3 |
0.6379 | Remote Similarity | NPD4220 | Pre-registration |
0.6379 | Remote Similarity | NPD3173 | Approved |
0.625 | Remote Similarity | NPD6109 | Phase 1 |
0.625 | Remote Similarity | NPD6097 | Approved |
0.625 | Remote Similarity | NPD6096 | Approved |
0.6232 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6226 | Remote Similarity | NPD5783 | Phase 3 |
0.6207 | Remote Similarity | NPD5343 | Approved |
0.614 | Remote Similarity | NPD4265 | Approved |
0.6029 | Remote Similarity | NPD3197 | Phase 1 |
0.5968 | Remote Similarity | NPD3172 | Approved |
0.5897 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD4266 | Approved |
0.5873 | Remote Similarity | NPD3195 | Phase 2 |
0.5873 | Remote Similarity | NPD3194 | Approved |
0.5873 | Remote Similarity | NPD3196 | Approved |
0.5873 | Remote Similarity | NPD539 | Approved |
0.5862 | Remote Similarity | NPD9090 | Phase 3 |
0.5862 | Remote Similarity | NPD3174 | Discontinued |
0.5846 | Remote Similarity | NPD8779 | Phase 3 |
0.5714 | Remote Similarity | NPD4756 | Discovery |
0.5645 | Remote Similarity | NPD6927 | Phase 3 |
0.5634 | Remote Similarity | NPD3704 | Approved |
0.5634 | Remote Similarity | NPD7331 | Phase 2 |
0.5634 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
PubChem CID   | 10824982 |
ChEMBL   | CHEMBL421759 |
ZINC   |
Molecular Weight:   | 256.15 |
ALogP:   | 1.3375 |
MLogP:   | 3.11 |
XLogP:   | 3.466 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |