Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | GI | = | 27.2 | % | DrugMatrix in vitro pharmacology data |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 33.4 | % | DrugMatrix in vitro pharmacology data |
NPT65 | Cell Line | HepG2 | Homo sapiens | GI | = | 45.5 | % | DrugMatrix in vitro pharmacology data |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 76.2 | % | 18760601 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 54 | % | 23434131 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 20 | ug/ml | 14510607 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 20 | ug/ml | 14510607 |
NPT2 | Others | Unspecified | IC50 | > | 20 | ug/ml | 18667308 | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 20 | ug/ml | 18667308 |
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 NPC329989 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 | NPC239373 |
0.8806 | High Similarity | NPC259299 |
0.8676 | High Similarity | NPC305698 |
0.8551 | High Similarity | NPC304690 |
0.8551 | High Similarity | NPC74722 |
0.8507 | High Similarity | NPC308844 |
0.8493 | Intermediate Similarity | NPC476703 |
0.8451 | Intermediate Similarity | NPC329763 |
0.8333 | Intermediate Similarity | NPC471525 |
0.8333 | Intermediate Similarity | NPC190859 |
0.8308 | Intermediate Similarity | NPC475931 |
0.8308 | Intermediate Similarity | NPC122239 |
0.8289 | Intermediate Similarity | NPC474894 |
0.8194 | Intermediate Similarity | NPC476709 |
0.8182 | Intermediate Similarity | NPC127824 |
0.8154 | Intermediate Similarity | NPC226848 |
0.8133 | Intermediate Similarity | NPC477089 |
0.8108 | Intermediate Similarity | NPC170148 |
0.8088 | Intermediate Similarity | NPC300593 |
0.8026 | Intermediate Similarity | NPC471537 |
0.8 | Intermediate Similarity | NPC73603 |
0.7969 | Intermediate Similarity | NPC223604 |
0.7917 | Intermediate Similarity | NPC129630 |
0.7879 | Intermediate Similarity | NPC181872 |
0.7867 | Intermediate Similarity | NPC271070 |
0.7867 | Intermediate Similarity | NPC301525 |
0.7838 | Intermediate Similarity | NPC144995 |
0.7838 | Intermediate Similarity | NPC227814 |
0.7794 | Intermediate Similarity | NPC225342 |
0.7778 | Intermediate Similarity | NPC329656 |
0.7763 | Intermediate Similarity | NPC84360 |
0.7722 | Intermediate Similarity | NPC477390 |
0.7722 | Intermediate Similarity | NPC477385 |
0.7711 | Intermediate Similarity | NPC128066 |
0.7703 | Intermediate Similarity | NPC130665 |
0.7692 | Intermediate Similarity | NPC329686 |
0.7671 | Intermediate Similarity | NPC4299 |
0.7662 | Intermediate Similarity | NPC68119 |
0.7662 | Intermediate Similarity | NPC13823 |
0.7656 | Intermediate Similarity | NPC474496 |
0.7654 | Intermediate Similarity | NPC298595 |
0.7647 | Intermediate Similarity | NPC66020 |
0.7647 | Intermediate Similarity | NPC99487 |
0.7647 | Intermediate Similarity | NPC240506 |
0.7639 | Intermediate Similarity | NPC224532 |
0.7632 | Intermediate Similarity | NPC268111 |
0.7619 | Intermediate Similarity | NPC191323 |
0.7606 | Intermediate Similarity | NPC267027 |
0.7571 | Intermediate Similarity | NPC309300 |
0.7568 | Intermediate Similarity | NPC471662 |
0.7564 | Intermediate Similarity | NPC476701 |
0.7561 | Intermediate Similarity | NPC281316 |
0.7536 | Intermediate Similarity | NPC68679 |
0.7536 | Intermediate Similarity | NPC207007 |
0.7536 | Intermediate Similarity | NPC475251 |
0.7536 | Intermediate Similarity | NPC321867 |
0.7534 | Intermediate Similarity | NPC90115 |
0.7534 | Intermediate Similarity | NPC101622 |
0.7534 | Intermediate Similarity | NPC217570 |
0.7532 | Intermediate Similarity | NPC476439 |
0.7532 | Intermediate Similarity | NPC477425 |
0.7532 | Intermediate Similarity | NPC40049 |
0.7532 | Intermediate Similarity | NPC477427 |
0.7532 | Intermediate Similarity | NPC477426 |
0.7532 | Intermediate Similarity | NPC474826 |
0.75 | Intermediate Similarity | NPC278895 |
0.75 | Intermediate Similarity | NPC472255 |
0.75 | Intermediate Similarity | NPC472253 |
0.75 | Intermediate Similarity | NPC143810 |
0.75 | Intermediate Similarity | NPC83838 |
0.7465 | Intermediate Similarity | NPC19569 |
0.7463 | Intermediate Similarity | NPC52012 |
0.7436 | Intermediate Similarity | NPC475980 |
0.7436 | Intermediate Similarity | NPC474005 |
0.7436 | Intermediate Similarity | NPC476314 |
0.7432 | Intermediate Similarity | NPC470041 |
0.7432 | Intermediate Similarity | NPC34834 |
0.7429 | Intermediate Similarity | NPC473508 |
0.7407 | Intermediate Similarity | NPC231601 |
0.7403 | Intermediate Similarity | NPC256720 |
0.7403 | Intermediate Similarity | NPC236228 |
0.7403 | Intermediate Similarity | NPC471658 |
0.7397 | Intermediate Similarity | NPC167527 |
0.7375 | Intermediate Similarity | NPC112868 |
0.7368 | Intermediate Similarity | NPC471659 |
0.7361 | Intermediate Similarity | NPC272125 |
0.7361 | Intermediate Similarity | NPC311736 |
0.7353 | Intermediate Similarity | NPC155025 |
0.7349 | Intermediate Similarity | NPC477389 |
0.7349 | Intermediate Similarity | NPC477387 |
0.7349 | Intermediate Similarity | NPC61527 |
0.7344 | Intermediate Similarity | NPC473672 |
0.7344 | Intermediate Similarity | NPC474495 |
0.7342 | Intermediate Similarity | NPC325869 |
0.7333 | Intermediate Similarity | NPC472254 |
0.7333 | Intermediate Similarity | NPC23954 |
0.7324 | Intermediate Similarity | NPC140233 |
0.7324 | Intermediate Similarity | NPC287744 |
0.7317 | Intermediate Similarity | NPC474047 |
0.7297 | Intermediate Similarity | NPC16964 |
0.7297 | Intermediate Similarity | NPC471560 |
0.7297 | Intermediate Similarity | NPC269841 |
0.7294 | Intermediate Similarity | NPC49783 |
0.7284 | Intermediate Similarity | NPC155521 |
0.7273 | Intermediate Similarity | NPC319090 |
0.7273 | Intermediate Similarity | NPC328104 |
0.7273 | Intermediate Similarity | NPC23231 |
0.7273 | Intermediate Similarity | NPC60818 |
0.7262 | Intermediate Similarity | NPC477386 |
0.7262 | Intermediate Similarity | NPC477388 |
0.726 | Intermediate Similarity | NPC477791 |
0.726 | Intermediate Similarity | NPC163290 |
0.726 | Intermediate Similarity | NPC69649 |
0.726 | Intermediate Similarity | NPC114651 |
0.726 | Intermediate Similarity | NPC68703 |
0.726 | Intermediate Similarity | NPC136813 |
0.726 | Intermediate Similarity | NPC82337 |
0.725 | Intermediate Similarity | NPC324772 |
0.7237 | Intermediate Similarity | NPC68443 |
0.7237 | Intermediate Similarity | NPC265485 |
0.7237 | Intermediate Similarity | NPC477085 |
0.7237 | Intermediate Similarity | NPC220939 |
0.7222 | Intermediate Similarity | NPC471200 |
0.7222 | Intermediate Similarity | NPC61503 |
0.7215 | Intermediate Similarity | NPC4436 |
0.72 | Intermediate Similarity | NPC473361 |
0.72 | Intermediate Similarity | NPC329904 |
0.72 | Intermediate Similarity | NPC475310 |
0.7195 | Intermediate Similarity | NPC475989 |
0.7195 | Intermediate Similarity | NPC475789 |
0.7188 | Intermediate Similarity | NPC182102 |
0.7188 | Intermediate Similarity | NPC26960 |
0.7183 | Intermediate Similarity | NPC474155 |
0.7183 | Intermediate Similarity | NPC473759 |
0.7179 | Intermediate Similarity | NPC469880 |
0.7179 | Intermediate Similarity | NPC310643 |
0.7164 | Intermediate Similarity | NPC148163 |
0.7164 | Intermediate Similarity | NPC130209 |
0.7164 | Intermediate Similarity | NPC227135 |
0.7164 | Intermediate Similarity | NPC281590 |
0.7164 | Intermediate Similarity | NPC148216 |
0.7162 | Intermediate Similarity | NPC272961 |
0.7162 | Intermediate Similarity | NPC470040 |
0.7162 | Intermediate Similarity | NPC471238 |
0.716 | Intermediate Similarity | NPC246621 |
0.716 | Intermediate Similarity | NPC315731 |
0.716 | Intermediate Similarity | NPC320525 |
0.7143 | Intermediate Similarity | NPC471081 |
0.7143 | Intermediate Similarity | NPC329090 |
0.7143 | Intermediate Similarity | NPC201048 |
0.7143 | Intermediate Similarity | NPC476366 |
0.7143 | Intermediate Similarity | NPC258788 |
0.7143 | Intermediate Similarity | NPC255143 |
0.7143 | Intermediate Similarity | NPC24590 |
0.7143 | Intermediate Similarity | NPC306727 |
0.7143 | Intermediate Similarity | NPC27395 |
0.7126 | Intermediate Similarity | NPC476705 |
0.7125 | Intermediate Similarity | NPC31258 |
0.7123 | Intermediate Similarity | NPC230107 |
0.7123 | Intermediate Similarity | NPC326310 |
0.7123 | Intermediate Similarity | NPC469328 |
0.7123 | Intermediate Similarity | NPC202017 |
0.7108 | Intermediate Similarity | NPC186155 |
0.7108 | Intermediate Similarity | NPC78673 |
0.7108 | Intermediate Similarity | NPC160517 |
0.7105 | Intermediate Similarity | NPC477086 |
0.7105 | Intermediate Similarity | NPC471272 |
0.7105 | Intermediate Similarity | NPC477084 |
0.7105 | Intermediate Similarity | NPC477087 |
0.7089 | Intermediate Similarity | NPC471454 |
0.7089 | Intermediate Similarity | NPC470711 |
0.7089 | Intermediate Similarity | NPC470758 |
0.7089 | Intermediate Similarity | NPC315394 |
0.7089 | Intermediate Similarity | NPC476007 |
0.7083 | Intermediate Similarity | NPC110241 |
0.7083 | Intermediate Similarity | NPC225415 |
0.7073 | Intermediate Similarity | NPC259858 |
0.7067 | Intermediate Similarity | NPC472947 |
0.7059 | Intermediate Similarity | NPC24443 |
0.7051 | Intermediate Similarity | NPC69383 |
0.7051 | Intermediate Similarity | NPC171148 |
0.7051 | Intermediate Similarity | NPC133580 |
0.7051 | Intermediate Similarity | NPC313179 |
0.7051 | Intermediate Similarity | NPC113639 |
0.7051 | Intermediate Similarity | NPC32832 |
0.7042 | Intermediate Similarity | NPC210346 |
0.7037 | Intermediate Similarity | NPC474592 |
0.7037 | Intermediate Similarity | NPC474739 |
0.7027 | Intermediate Similarity | NPC161612 |
0.7027 | Intermediate Similarity | NPC193029 |
0.7027 | Intermediate Similarity | NPC33583 |
0.7027 | Intermediate Similarity | NPC473357 |
0.7024 | Intermediate Similarity | NPC474349 |
0.7024 | Intermediate Similarity | NPC474189 |
0.7011 | Intermediate Similarity | NPC477865 |
0.7011 | Intermediate Similarity | NPC469403 |
0.7011 | Intermediate Similarity | NPC477866 |
0.7011 | Intermediate Similarity | NPC3952 |
0.7 | Intermediate Similarity | NPC57664 |
0.7 | Intermediate Similarity | NPC470944 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC329989 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 |
---|---|---|---|
0.7536 | Intermediate Similarity | NPD368 | Approved |
0.7531 | Intermediate Similarity | NPD7338 | Clinical (unspecified phase) |
0.7407 | Intermediate Similarity | NPD6695 | Phase 3 |
0.725 | Intermediate Similarity | NPD6930 | Phase 2 |
0.725 | Intermediate Similarity | NPD6931 | Approved |
0.7209 | Intermediate Similarity | NPD7838 | Discovery |
0.7164 | Intermediate Similarity | NPD342 | Phase 1 |
0.7143 | Intermediate Similarity | NPD6924 | Approved |
0.7143 | Intermediate Similarity | NPD6926 | Approved |
0.7125 | Intermediate Similarity | NPD6929 | Approved |
0.7059 | Intermediate Similarity | NPD7750 | Discontinued |
0.7059 | Intermediate Similarity | NPD7524 | Approved |
0.7051 | Intermediate Similarity | NPD8264 | Approved |
0.7037 | Intermediate Similarity | NPD7332 | Phase 2 |
0.7037 | Intermediate Similarity | NPD7514 | Phase 3 |
0.7 | Intermediate Similarity | NPD7322 | Clinical (unspecified phase) |
0.6986 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6962 | Remote Similarity | NPD6933 | Approved |
0.6951 | Remote Similarity | NPD6902 | Approved |
0.6875 | Remote Similarity | NPD6925 | Approved |
0.6875 | Remote Similarity | NPD5776 | Phase 2 |
0.6829 | Remote Similarity | NPD4822 | Approved |
0.6829 | Remote Similarity | NPD7509 | Discontinued |
0.6829 | Remote Similarity | NPD4820 | Approved |
0.6829 | Remote Similarity | NPD4821 | Approved |
0.6829 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6829 | Remote Similarity | NPD4819 | Approved |
0.6824 | Remote Similarity | NPD6893 | Approved |
0.6795 | Remote Similarity | NPD4732 | Discontinued |
0.679 | Remote Similarity | NPD7145 | Approved |
0.6786 | Remote Similarity | NPD7154 | Phase 3 |
0.6747 | Remote Similarity | NPD6898 | Phase 1 |
0.6742 | Remote Similarity | NPD7983 | Approved |
0.6742 | Remote Similarity | NPD7087 | Discontinued |
0.6667 | Remote Similarity | NPD5778 | Approved |
0.6667 | Remote Similarity | NPD5779 | Approved |
0.6667 | Remote Similarity | NPD6932 | Approved |
0.6629 | Remote Similarity | NPD6698 | Approved |
0.6629 | Remote Similarity | NPD46 | Approved |
0.6623 | Remote Similarity | NPD6923 | Approved |
0.6623 | Remote Similarity | NPD6922 | Approved |
0.6596 | Remote Similarity | NPD6648 | Approved |
0.6585 | Remote Similarity | NPD4271 | Approved |
0.6585 | Remote Similarity | NPD4268 | Approved |
0.6571 | Remote Similarity | NPD4219 | Approved |
0.6562 | Remote Similarity | NPD4265 | Approved |
0.6538 | Remote Similarity | NPD7144 | Approved |
0.6538 | Remote Similarity | NPD7143 | Approved |
0.6526 | Remote Similarity | NPD5344 | Discontinued |
0.6506 | Remote Similarity | NPD6683 | Phase 2 |
0.6506 | Remote Similarity | NPD7645 | Phase 2 |
0.6456 | Remote Similarity | NPD7150 | Approved |
0.6456 | Remote Similarity | NPD7152 | Approved |
0.6456 | Remote Similarity | NPD7151 | Approved |
0.6438 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6437 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD7525 | Registered |
0.6395 | Remote Similarity | NPD5362 | Discontinued |
0.6374 | Remote Similarity | NPD7637 | Suspended |
0.6333 | Remote Similarity | NPD6101 | Approved |
0.6333 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6292 | Remote Similarity | NPD4251 | Approved |
0.6292 | Remote Similarity | NPD4250 | Approved |
0.6279 | Remote Similarity | NPD6435 | Approved |
0.6277 | Remote Similarity | NPD7839 | Suspended |
0.622 | Remote Similarity | NPD7339 | Approved |
0.622 | Remote Similarity | NPD6942 | Approved |
0.6207 | Remote Similarity | NPD5331 | Approved |
0.6207 | Remote Similarity | NPD5332 | Approved |
0.6196 | Remote Similarity | NPD6411 | Approved |
0.619 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.618 | Remote Similarity | NPD4249 | Approved |
0.6163 | Remote Similarity | NPD4790 | Discontinued |
0.6145 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6092 | Remote Similarity | NPD4270 | Approved |
0.6092 | Remote Similarity | NPD4269 | Approved |
0.6087 | Remote Similarity | NPD3168 | Discontinued |
0.6047 | Remote Similarity | NPD5368 | Approved |
0.6026 | Remote Similarity | NPD7331 | Phase 2 |
0.6024 | Remote Similarity | NPD8039 | Approved |
0.6 | Remote Similarity | NPD5786 | Approved |
0.5977 | Remote Similarity | NPD5369 | Approved |
0.5974 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD7136 | Phase 2 |
0.5897 | Remote Similarity | NPD7341 | Phase 2 |
0.5889 | Remote Similarity | NPD1696 | Phase 3 |
0.5889 | Remote Similarity | NPD5363 | Approved |
0.5865 | Remote Similarity | NPD6371 | Approved |
0.5862 | Remote Similarity | NPD4252 | Approved |
0.5854 | Remote Similarity | NPD4243 | Approved |
0.5844 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5824 | Remote Similarity | NPD5279 | Phase 3 |
0.5816 | Remote Similarity | NPD4225 | Approved |
0.5806 | Remote Similarity | NPD1695 | Approved |
0.5797 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD1145 | Discontinued |
0.5784 | Remote Similarity | NPD6640 | Phase 3 |
0.5778 | Remote Similarity | NPD4786 | Approved |
0.5758 | Remote Similarity | NPD7640 | Approved |
0.5758 | Remote Similarity | NPD7639 | Approved |
0.575 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD5785 | Approved |
0.573 | Remote Similarity | NPD5209 | Approved |
0.573 | Remote Similarity | NPD3667 | Approved |
0.5729 | Remote Similarity | NPD5282 | Discontinued |
0.5714 | Remote Similarity | NPD4191 | Approved |
0.5714 | Remote Similarity | NPD4193 | Approved |
0.5714 | Remote Similarity | NPD4194 | Approved |
0.5714 | Remote Similarity | NPD4192 | Approved |
0.5714 | Remote Similarity | NPD4785 | Approved |
0.5714 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD4784 | Approved |
0.5682 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.567 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD6110 | Phase 1 |
0.566 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD7638 | Approved |
0.5638 | Remote Similarity | NPD6051 | Approved |
0.5638 | Remote Similarity | NPD5370 | Suspended |
0.5631 | Remote Similarity | NPD5357 | Phase 1 |
0.5625 | Remote Similarity | NPD6399 | Phase 3 |
0.5604 | Remote Similarity | NPD3133 | Approved |
0.5604 | Remote Similarity | NPD3666 | Approved |
0.5604 | Remote Similarity | NPD3665 | Phase 1 |
PubChem CID   | 44448212 |
ChEMBL   | CHEMBL440401 |
ZINC   |
Molecular Weight:   | 304.24 |
ALogP:   | 2.4609 |
MLogP:   | 3.44 |
XLogP:   | 4.356 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 32.76 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 22 |