Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT554 | Organism | Candida glabrata | Candida glabrata | MIC | = | 30 | ug/ml | 10650083 |
NPT554 | Organism | Candida glabrata | Candida glabrata | MIC | = | 9.9 | ug/ml | 22054038 |
NPT2 | Others | Unspecified | MIC | = | 9.9 | ug/ml | 24262380 | |
NPT2 | Others | Unspecified | IC50 | = | 7960 | nM | 25453820 | |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 0.7 | ug/ml | 19318257 |
NPT554 | Organism | Candida glabrata | Candida glabrata | MIC | = | 30 | ug/ml | 20961068 |
NPT2 | Others | Unspecified | GI | = | 80 | % | 24388809 | |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 0.7 | ug/ml | 17286393 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 9.9 | ug/ml | 1965200 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 9.9 | ug/ml | 25582602 |
NPT1577 | Cell Line | SW1573 | Homo sapiens | GI50 | = | 9500 | nM | 16933872 |
NPT1183 | Cell Line | WiDr | Homo sapiens | GI50 | = | 17000 | nM | 16933872 |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | = | 12000 | nM | 16933872 |
NPT2 | Others | Unspecified | GI50 | = | 6600 | nM | 16933872 | |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 37.5 | ug/ml | 11374948 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 19.8 | ug/ml | 9599259 |
NPT165 | Cell Line | HeLa | Homo sapiens | GI50 | = | 9200 | nM | 11908979 |
NPT188 | Organism | Candida parapsilosis | Candida parapsilosis | MIC | = | 4.9 | ug/ml | 18500841 |
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 NPC96966 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 |
---|---|---|
1.0 | High Similarity | NPC29222 |
1.0 | High Similarity | NPC121062 |
0.9167 | High Similarity | NPC474322 |
0.9167 | High Similarity | NPC123814 |
0.8462 | Intermediate Similarity | NPC8979 |
0.8302 | Intermediate Similarity | NPC302569 |
0.8302 | Intermediate Similarity | NPC168308 |
0.8 | Intermediate Similarity | NPC319131 |
0.7719 | Intermediate Similarity | NPC17455 |
0.7547 | Intermediate Similarity | NPC270041 |
0.7414 | Intermediate Similarity | NPC47333 |
0.7255 | Intermediate Similarity | NPC193872 |
0.7213 | Intermediate Similarity | NPC113224 |
0.7091 | Intermediate Similarity | NPC471423 |
0.7091 | Intermediate Similarity | NPC471442 |
0.6984 | Remote Similarity | NPC268922 |
0.6875 | Remote Similarity | NPC475694 |
0.6875 | Remote Similarity | NPC473710 |
0.6842 | Remote Similarity | NPC471605 |
0.6842 | Remote Similarity | NPC471443 |
0.6825 | Remote Similarity | NPC471418 |
0.6818 | Remote Similarity | NPC319034 |
0.6818 | Remote Similarity | NPC193062 |
0.6818 | Remote Similarity | NPC1748 |
0.6818 | Remote Similarity | NPC66124 |
0.6818 | Remote Similarity | NPC72324 |
0.6786 | Remote Similarity | NPC471917 |
0.6769 | Remote Similarity | NPC476694 |
0.6769 | Remote Similarity | NPC476695 |
0.6769 | Remote Similarity | NPC306973 |
0.6769 | Remote Similarity | NPC476696 |
0.6727 | Remote Similarity | NPC470664 |
0.6613 | Remote Similarity | NPC474928 |
0.661 | Remote Similarity | NPC233364 |
0.661 | Remote Similarity | NPC471421 |
0.6607 | Remote Similarity | NPC277072 |
0.6607 | Remote Similarity | NPC178263 |
0.6591 | Remote Similarity | NPC267243 |
0.6591 | Remote Similarity | NPC122962 |
0.6591 | Remote Similarity | NPC145217 |
0.6591 | Remote Similarity | NPC84444 |
0.6557 | Remote Similarity | NPC145627 |
0.6522 | Remote Similarity | NPC97967 |
0.6508 | Remote Similarity | NPC286851 |
0.6508 | Remote Similarity | NPC303798 |
0.6441 | Remote Similarity | NPC204709 |
0.6418 | Remote Similarity | NPC474468 |
0.6415 | Remote Similarity | NPC289484 |
0.6415 | Remote Similarity | NPC319709 |
0.6393 | Remote Similarity | NPC474014 |
0.6393 | Remote Similarity | NPC30126 |
0.6393 | Remote Similarity | NPC57846 |
0.6383 | Remote Similarity | NPC474914 |
0.6383 | Remote Similarity | NPC474392 |
0.6377 | Remote Similarity | NPC3094 |
0.6377 | Remote Similarity | NPC477002 |
0.6364 | Remote Similarity | NPC24506 |
0.6364 | Remote Similarity | NPC163556 |
0.6364 | Remote Similarity | NPC236797 |
0.6364 | Remote Similarity | NPC112242 |
0.6364 | Remote Similarity | NPC141902 |
0.6364 | Remote Similarity | NPC147096 |
0.6364 | Remote Similarity | NPC225783 |
0.6364 | Remote Similarity | NPC50457 |
0.6364 | Remote Similarity | NPC185041 |
0.6349 | Remote Similarity | NPC223386 |
0.6349 | Remote Similarity | NPC75435 |
0.6349 | Remote Similarity | NPC471892 |
0.6349 | Remote Similarity | NPC142290 |
0.6349 | Remote Similarity | NPC198341 |
0.6349 | Remote Similarity | NPC471780 |
0.6333 | Remote Similarity | NPC290106 |
0.6333 | Remote Similarity | NPC143809 |
0.6333 | Remote Similarity | NPC216415 |
0.6333 | Remote Similarity | NPC76726 |
0.6333 | Remote Similarity | NPC193593 |
0.6333 | Remote Similarity | NPC476537 |
0.6316 | Remote Similarity | NPC272396 |
0.625 | Remote Similarity | NPC69798 |
0.625 | Remote Similarity | NPC101746 |
0.625 | Remote Similarity | NPC473952 |
0.625 | Remote Similarity | NPC77191 |
0.625 | Remote Similarity | NPC116377 |
0.625 | Remote Similarity | NPC277333 |
0.623 | Remote Similarity | NPC68974 |
0.6222 | Remote Similarity | NPC126915 |
0.619 | Remote Similarity | NPC55068 |
0.619 | Remote Similarity | NPC471419 |
0.619 | Remote Similarity | NPC163134 |
0.6154 | Remote Similarity | NPC59221 |
0.6143 | Remote Similarity | NPC140327 |
0.6143 | Remote Similarity | NPC51055 |
0.6143 | Remote Similarity | NPC212008 |
0.6143 | Remote Similarity | NPC62293 |
0.6136 | Remote Similarity | NPC110884 |
0.6129 | Remote Similarity | NPC62507 |
0.6129 | Remote Similarity | NPC8087 |
0.6111 | Remote Similarity | NPC475363 |
0.6111 | Remote Similarity | NPC473971 |
0.6111 | Remote Similarity | NPC473972 |
0.6094 | Remote Similarity | NPC41429 |
0.6087 | Remote Similarity | NPC291158 |
0.6087 | Remote Similarity | NPC205141 |
0.6087 | Remote Similarity | NPC272998 |
0.6087 | Remote Similarity | NPC181516 |
0.6087 | Remote Similarity | NPC139131 |
0.6087 | Remote Similarity | NPC185538 |
0.6061 | Remote Similarity | NPC74555 |
0.6061 | Remote Similarity | NPC266242 |
0.6061 | Remote Similarity | NPC254617 |
0.6061 | Remote Similarity | NPC306763 |
0.6061 | Remote Similarity | NPC195165 |
0.6032 | Remote Similarity | NPC150680 |
0.6032 | Remote Similarity | NPC218150 |
0.6032 | Remote Similarity | NPC22774 |
0.6032 | Remote Similarity | NPC69669 |
0.6032 | Remote Similarity | NPC306462 |
0.6032 | Remote Similarity | NPC2432 |
0.6 | Remote Similarity | NPC278209 |
0.6 | Remote Similarity | NPC311668 |
0.6 | Remote Similarity | NPC65832 |
0.6 | Remote Similarity | NPC10262 |
0.6 | Remote Similarity | NPC28394 |
0.6 | Remote Similarity | NPC31557 |
0.597 | Remote Similarity | NPC475127 |
0.597 | Remote Similarity | NPC475715 |
0.597 | Remote Similarity | NPC473419 |
0.5962 | Remote Similarity | NPC222078 |
0.5946 | Remote Similarity | NPC79367 |
0.5942 | Remote Similarity | NPC55274 |
0.5932 | Remote Similarity | NPC470666 |
0.5909 | Remote Similarity | NPC159845 |
0.5909 | Remote Similarity | NPC184150 |
0.5909 | Remote Similarity | NPC279895 |
0.5909 | Remote Similarity | NPC141156 |
0.5909 | Remote Similarity | NPC313882 |
0.5902 | Remote Similarity | NPC176164 |
0.5902 | Remote Similarity | NPC189301 |
0.5902 | Remote Similarity | NPC190385 |
0.5893 | Remote Similarity | NPC324825 |
0.5893 | Remote Similarity | NPC270805 |
0.5893 | Remote Similarity | NPC93888 |
0.5893 | Remote Similarity | NPC316231 |
0.5893 | Remote Similarity | NPC112890 |
0.5882 | Remote Similarity | NPC115800 |
0.5882 | Remote Similarity | NPC163538 |
0.5857 | Remote Similarity | NPC26932 |
0.5846 | Remote Similarity | NPC233034 |
0.5821 | Remote Similarity | NPC474469 |
0.5806 | Remote Similarity | NPC254541 |
0.5797 | Remote Similarity | NPC477200 |
0.5797 | Remote Similarity | NPC137554 |
0.5797 | Remote Similarity | NPC255535 |
0.5797 | Remote Similarity | NPC285014 |
0.5797 | Remote Similarity | NPC299603 |
0.5797 | Remote Similarity | NPC28959 |
0.5781 | Remote Similarity | NPC470665 |
0.5769 | Remote Similarity | NPC241279 |
0.5758 | Remote Similarity | NPC474402 |
0.5758 | Remote Similarity | NPC12514 |
0.5758 | Remote Similarity | NPC315980 |
0.5758 | Remote Similarity | NPC294883 |
0.5745 | Remote Similarity | NPC152759 |
0.5745 | Remote Similarity | NPC12231 |
0.5741 | Remote Similarity | NPC118459 |
0.5741 | Remote Similarity | NPC327698 |
0.5733 | Remote Similarity | NPC207657 |
0.5714 | Remote Similarity | NPC320936 |
0.5686 | Remote Similarity | NPC471282 |
0.5672 | Remote Similarity | NPC129100 |
0.5672 | Remote Similarity | NPC291650 |
0.5672 | Remote Similarity | NPC322801 |
0.5641 | Remote Similarity | NPC125253 |
0.5641 | Remote Similarity | NPC253975 |
0.5641 | Remote Similarity | NPC192025 |
0.5634 | Remote Similarity | NPC208657 |
0.5625 | Remote Similarity | NPC112398 |
0.56 | Remote Similarity | NPC74352 |
0.56 | Remote Similarity | NPC177022 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC96966 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 |
---|---|---|---|
0.9565 | High Similarity | NPD3214 | Discontinued |
0.9167 | High Similarity | NPD3215 | Phase 1 |
0.6415 | Remote Similarity | NPD3211 | Approved |
0.623 | Remote Similarity | NPD9239 | Approved |
0.623 | Remote Similarity | NPD9240 | Approved |
0.6226 | Remote Similarity | NPD1152 | Phase 2 |
0.619 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD399 | Approved |
0.6111 | Remote Similarity | NPD398 | Approved |
0.6111 | Remote Similarity | NPD400 | Approved |
0.6087 | Remote Similarity | NPD2272 | Approved |
0.6087 | Remote Similarity | NPD5383 | Approved |
0.6032 | Remote Similarity | NPD9027 | Phase 3 |
0.6032 | Remote Similarity | NPD9026 | Phase 2 |
0.6032 | Remote Similarity | NPD9029 | Phase 3 |
0.6032 | Remote Similarity | NPD9676 | Phase 3 |
0.6032 | Remote Similarity | NPD9028 | Phase 2 |
0.5902 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD9044 | Approved |
0.5893 | Remote Similarity | NPD8624 | Approved |
0.5873 | Remote Similarity | NPD393 | Approved |
0.5849 | Remote Similarity | NPD9062 | Phase 2 |
0.5846 | Remote Similarity | NPD9440 | Discontinued |
0.5714 | Remote Similarity | NPD3187 | Discontinued |
0.5714 | Remote Similarity | NPD9455 | Approved |
0.5672 | Remote Similarity | NPD9032 | Approved |
0.5672 | Remote Similarity | NPD9031 | Approved |
0.5672 | Remote Similarity | NPD9033 | Approved |
0.5672 | Remote Similarity | NPD9030 | Approved |
PubChem CID   | 5273358 |
ChEMBL   | CHEMBL482788 |
ZINC   |
Molecular Weight:   | 201.21 |
ALogP:   | -3.5124 |
MLogP:   | 2.56 |
XLogP:   | 3.986 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 46.25 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 14 |