Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 5 | ug/ml | 10.6019/CHEMBL1201861 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 5 | ug/ml | 18163584 |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 5 | ug/ml | 21885287 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 5 | ug/ml | 22552195 |
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 NPC474060 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 |
---|---|---|
0.8873 | High Similarity | NPC110725 |
0.8767 | High Similarity | NPC27817 |
0.8356 | Intermediate Similarity | NPC1254 |
0.8158 | Intermediate Similarity | NPC108955 |
0.8133 | Intermediate Similarity | NPC189485 |
0.8088 | Intermediate Similarity | NPC150162 |
0.8052 | Intermediate Similarity | NPC225515 |
0.8052 | Intermediate Similarity | NPC55869 |
0.7922 | Intermediate Similarity | NPC287063 |
0.7875 | Intermediate Similarity | NPC32037 |
0.7867 | Intermediate Similarity | NPC26504 |
0.7838 | Intermediate Similarity | NPC147438 |
0.7821 | Intermediate Similarity | NPC470034 |
0.7821 | Intermediate Similarity | NPC99308 |
0.7821 | Intermediate Similarity | NPC475863 |
0.7714 | Intermediate Similarity | NPC251118 |
0.7681 | Intermediate Similarity | NPC477830 |
0.7654 | Intermediate Similarity | NPC33881 |
0.7654 | Intermediate Similarity | NPC132228 |
0.7654 | Intermediate Similarity | NPC8518 |
0.7654 | Intermediate Similarity | NPC263997 |
0.7639 | Intermediate Similarity | NPC310992 |
0.7632 | Intermediate Similarity | NPC112680 |
0.7632 | Intermediate Similarity | NPC470525 |
0.7632 | Intermediate Similarity | NPC92080 |
0.7632 | Intermediate Similarity | NPC292589 |
0.76 | Intermediate Similarity | NPC122244 |
0.7561 | Intermediate Similarity | NPC203795 |
0.75 | Intermediate Similarity | NPC472304 |
0.75 | Intermediate Similarity | NPC276764 |
0.75 | Intermediate Similarity | NPC175079 |
0.75 | Intermediate Similarity | NPC103486 |
0.7468 | Intermediate Similarity | NPC74086 |
0.7439 | Intermediate Similarity | NPC6185 |
0.7439 | Intermediate Similarity | NPC241512 |
0.7439 | Intermediate Similarity | NPC470177 |
0.7436 | Intermediate Similarity | NPC74410 |
0.7436 | Intermediate Similarity | NPC207772 |
0.7436 | Intermediate Similarity | NPC30321 |
0.7429 | Intermediate Similarity | NPC288253 |
0.7429 | Intermediate Similarity | NPC143168 |
0.7429 | Intermediate Similarity | NPC53109 |
0.7424 | Intermediate Similarity | NPC297280 |
0.7407 | Intermediate Similarity | NPC105803 |
0.7407 | Intermediate Similarity | NPC53733 |
0.7403 | Intermediate Similarity | NPC186554 |
0.7403 | Intermediate Similarity | NPC76966 |
0.7397 | Intermediate Similarity | NPC87141 |
0.7397 | Intermediate Similarity | NPC188292 |
0.7397 | Intermediate Similarity | NPC260474 |
0.7385 | Intermediate Similarity | NPC268564 |
0.7375 | Intermediate Similarity | NPC121984 |
0.7375 | Intermediate Similarity | NPC474085 |
0.7375 | Intermediate Similarity | NPC275766 |
0.7368 | Intermediate Similarity | NPC213223 |
0.7353 | Intermediate Similarity | NPC281195 |
0.7353 | Intermediate Similarity | NPC320421 |
0.7333 | Intermediate Similarity | NPC474539 |
0.7324 | Intermediate Similarity | NPC4638 |
0.7324 | Intermediate Similarity | NPC7029 |
0.7308 | Intermediate Similarity | NPC283087 |
0.7297 | Intermediate Similarity | NPC256846 |
0.7297 | Intermediate Similarity | NPC469914 |
0.7294 | Intermediate Similarity | NPC68148 |
0.7294 | Intermediate Similarity | NPC112454 |
0.7294 | Intermediate Similarity | NPC65615 |
0.7241 | Intermediate Similarity | NPC263780 |
0.7229 | Intermediate Similarity | NPC474680 |
0.7229 | Intermediate Similarity | NPC255174 |
0.7229 | Intermediate Similarity | NPC33663 |
0.7215 | Intermediate Similarity | NPC478122 |
0.7188 | Intermediate Similarity | NPC32351 |
0.7188 | Intermediate Similarity | NPC163984 |
0.7188 | Intermediate Similarity | NPC58970 |
0.7188 | Intermediate Similarity | NPC176819 |
0.7179 | Intermediate Similarity | NPC472305 |
0.7179 | Intermediate Similarity | NPC180886 |
0.7179 | Intermediate Similarity | NPC7629 |
0.7179 | Intermediate Similarity | NPC151622 |
0.716 | Intermediate Similarity | NPC6663 |
0.716 | Intermediate Similarity | NPC116797 |
0.716 | Intermediate Similarity | NPC475833 |
0.716 | Intermediate Similarity | NPC470298 |
0.7143 | Intermediate Similarity | NPC264178 |
0.7143 | Intermediate Similarity | NPC127582 |
0.7143 | Intermediate Similarity | NPC301065 |
0.7126 | Intermediate Similarity | NPC470036 |
0.7126 | Intermediate Similarity | NPC174167 |
0.7125 | Intermediate Similarity | NPC475681 |
0.7125 | Intermediate Similarity | NPC19900 |
0.7123 | Intermediate Similarity | NPC197089 |
0.7121 | Intermediate Similarity | NPC45283 |
0.7108 | Intermediate Similarity | NPC87552 |
0.7108 | Intermediate Similarity | NPC53385 |
0.7105 | Intermediate Similarity | NPC84790 |
0.7105 | Intermediate Similarity | NPC288667 |
0.7101 | Intermediate Similarity | NPC56905 |
0.7101 | Intermediate Similarity | NPC311852 |
0.7101 | Intermediate Similarity | NPC27610 |
0.7093 | Intermediate Similarity | NPC474918 |
0.7089 | Intermediate Similarity | NPC97173 |
0.7089 | Intermediate Similarity | NPC34110 |
0.7089 | Intermediate Similarity | NPC266193 |
0.7089 | Intermediate Similarity | NPC257666 |
0.7089 | Intermediate Similarity | NPC97377 |
0.7083 | Intermediate Similarity | NPC475124 |
0.7083 | Intermediate Similarity | NPC285371 |
0.7083 | Intermediate Similarity | NPC212210 |
0.7067 | Intermediate Similarity | NPC262673 |
0.7059 | Intermediate Similarity | NPC473733 |
0.7051 | Intermediate Similarity | NPC476346 |
0.7045 | Intermediate Similarity | NPC211230 |
0.7037 | Intermediate Similarity | NPC476809 |
0.7037 | Intermediate Similarity | NPC2482 |
0.7037 | Intermediate Similarity | NPC271104 |
0.7027 | Intermediate Similarity | NPC243272 |
0.7024 | Intermediate Similarity | NPC15807 |
0.7024 | Intermediate Similarity | NPC187529 |
0.7024 | Intermediate Similarity | NPC133652 |
0.7024 | Intermediate Similarity | NPC469993 |
0.7013 | Intermediate Similarity | NPC109576 |
0.7013 | Intermediate Similarity | NPC130016 |
0.7013 | Intermediate Similarity | NPC35656 |
0.7013 | Intermediate Similarity | NPC56747 |
0.7013 | Intermediate Similarity | NPC180015 |
0.7013 | Intermediate Similarity | NPC153660 |
0.7011 | Intermediate Similarity | NPC129913 |
0.7 | Intermediate Similarity | NPC80088 |
0.7 | Intermediate Similarity | NPC19443 |
0.7 | Intermediate Similarity | NPC471409 |
0.7 | Intermediate Similarity | NPC476808 |
0.7 | Intermediate Similarity | NPC475994 |
0.7 | Intermediate Similarity | NPC253561 |
0.7 | Intermediate Similarity | NPC248624 |
0.7 | Intermediate Similarity | NPC62336 |
0.7 | Intermediate Similarity | NPC275494 |
0.6988 | Remote Similarity | NPC309309 |
0.6988 | Remote Similarity | NPC102197 |
0.6988 | Remote Similarity | NPC291999 |
0.6988 | Remote Similarity | NPC49019 |
0.6986 | Remote Similarity | NPC470329 |
0.6977 | Remote Similarity | NPC72397 |
0.6974 | Remote Similarity | NPC94743 |
0.6974 | Remote Similarity | NPC251929 |
0.6974 | Remote Similarity | NPC265782 |
0.6974 | Remote Similarity | NPC2634 |
0.6974 | Remote Similarity | NPC291062 |
0.697 | Remote Similarity | NPC137396 |
0.6966 | Remote Similarity | NPC23170 |
0.6966 | Remote Similarity | NPC474882 |
0.6966 | Remote Similarity | NPC474328 |
0.6962 | Remote Similarity | NPC309399 |
0.6962 | Remote Similarity | NPC263582 |
0.6962 | Remote Similarity | NPC250621 |
0.6951 | Remote Similarity | NPC472684 |
0.6951 | Remote Similarity | NPC119229 |
0.6951 | Remote Similarity | NPC189237 |
0.6951 | Remote Similarity | NPC474353 |
0.6951 | Remote Similarity | NPC278459 |
0.6951 | Remote Similarity | NPC44963 |
0.6944 | Remote Similarity | NPC167256 |
0.6944 | Remote Similarity | NPC151728 |
0.6944 | Remote Similarity | NPC165695 |
0.6944 | Remote Similarity | NPC190049 |
0.6944 | Remote Similarity | NPC322457 |
0.6944 | Remote Similarity | NPC57463 |
0.6941 | Remote Similarity | NPC94666 |
0.6933 | Remote Similarity | NPC263382 |
0.6933 | Remote Similarity | NPC125578 |
0.6933 | Remote Similarity | NPC155198 |
0.6933 | Remote Similarity | NPC146376 |
0.6932 | Remote Similarity | NPC45579 |
0.6923 | Remote Similarity | NPC474797 |
0.6923 | Remote Similarity | NPC474796 |
0.6923 | Remote Similarity | NPC134083 |
0.6923 | Remote Similarity | NPC329866 |
0.6914 | Remote Similarity | NPC192329 |
0.6914 | Remote Similarity | NPC170793 |
0.6914 | Remote Similarity | NPC472490 |
0.6912 | Remote Similarity | NPC275472 |
0.6905 | Remote Similarity | NPC237712 |
0.6905 | Remote Similarity | NPC144258 |
0.6897 | Remote Similarity | NPC472676 |
0.6897 | Remote Similarity | NPC210216 |
0.6897 | Remote Similarity | NPC472688 |
0.6889 | Remote Similarity | NPC295347 |
0.6889 | Remote Similarity | NPC147232 |
0.6889 | Remote Similarity | NPC777 |
0.6883 | Remote Similarity | NPC181204 |
0.6883 | Remote Similarity | NPC5701 |
0.6883 | Remote Similarity | NPC54123 |
0.6883 | Remote Similarity | NPC21944 |
0.6883 | Remote Similarity | NPC474884 |
0.6883 | Remote Similarity | NPC474562 |
0.6875 | Remote Similarity | NPC91962 |
0.6875 | Remote Similarity | NPC471061 |
0.6875 | Remote Similarity | NPC197659 |
0.6875 | Remote Similarity | NPC211279 |
0.6875 | Remote Similarity | NPC165711 |
0.6875 | Remote Similarity | NPC82666 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC474060 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 |
---|---|---|---|
0.7692 | Intermediate Similarity | NPD4695 | Discontinued |
0.7468 | Intermediate Similarity | NPD8259 | Clinical (unspecified phase) |
0.7429 | Intermediate Similarity | NPD2664 | Clinical (unspecified phase) |
0.7349 | Intermediate Similarity | NPD5280 | Approved |
0.7349 | Intermediate Similarity | NPD4694 | Approved |
0.7294 | Intermediate Similarity | NPD7285 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD5690 | Phase 2 |
0.7143 | Intermediate Similarity | NPD5733 | Approved |
0.7143 | Intermediate Similarity | NPD5279 | Phase 3 |
0.7143 | Intermediate Similarity | NPD4687 | Approved |
0.7143 | Intermediate Similarity | NPD4058 | Approved |
0.7123 | Intermediate Similarity | NPD7331 | Phase 2 |
0.7105 | Intermediate Similarity | NPD5276 | Approved |
0.7 | Intermediate Similarity | NPD3617 | Approved |
0.6974 | Remote Similarity | NPD4691 | Approved |
0.6905 | Remote Similarity | NPD4197 | Approved |
0.6875 | Remote Similarity | NPD4756 | Discovery |
0.6857 | Remote Similarity | NPD287 | Approved |
0.6842 | Remote Similarity | NPD4137 | Phase 3 |
0.6824 | Remote Similarity | NPD1696 | Phase 3 |
0.6824 | Remote Similarity | NPD5329 | Approved |
0.6757 | Remote Similarity | NPD7341 | Phase 2 |
0.6753 | Remote Similarity | NPD4747 | Approved |
0.6667 | Remote Similarity | NPD4223 | Phase 3 |
0.6667 | Remote Similarity | NPD4221 | Approved |
0.6667 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5133 | Approved |
0.6591 | Remote Similarity | NPD4518 | Approved |
0.6588 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.6556 | Remote Similarity | NPD5284 | Approved |
0.6556 | Remote Similarity | NPD5281 | Approved |
0.6517 | Remote Similarity | NPD4753 | Phase 2 |
0.6512 | Remote Similarity | NPD3666 | Approved |
0.6512 | Remote Similarity | NPD3133 | Approved |
0.6512 | Remote Similarity | NPD3665 | Phase 1 |
0.6471 | Remote Similarity | NPD3667 | Approved |
0.6447 | Remote Similarity | NPD3704 | Approved |
0.6444 | Remote Similarity | NPD5692 | Phase 3 |
0.6444 | Remote Similarity | NPD4096 | Approved |
0.6374 | Remote Similarity | NPD6050 | Approved |
0.6374 | Remote Similarity | NPD5694 | Approved |
0.6364 | Remote Similarity | NPD4690 | Approved |
0.6364 | Remote Similarity | NPD4693 | Phase 3 |
0.6364 | Remote Similarity | NPD5205 | Approved |
0.6364 | Remote Similarity | NPD4138 | Approved |
0.6364 | Remote Similarity | NPD3618 | Phase 1 |
0.6364 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD4689 | Approved |
0.6364 | Remote Similarity | NPD4623 | Approved |
0.6364 | Remote Similarity | NPD4519 | Discontinued |
0.6364 | Remote Similarity | NPD4688 | Approved |
0.6344 | Remote Similarity | NPD4629 | Approved |
0.6344 | Remote Similarity | NPD5210 | Approved |
0.6344 | Remote Similarity | NPD5695 | Phase 3 |
0.6322 | Remote Similarity | NPD4786 | Approved |
0.631 | Remote Similarity | NPD4195 | Approved |
0.6282 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6277 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.6277 | Remote Similarity | NPD5221 | Approved |
0.6277 | Remote Similarity | NPD5222 | Approved |
0.6211 | Remote Similarity | NPD5173 | Approved |
0.6196 | Remote Similarity | NPD6079 | Approved |
0.6163 | Remote Similarity | NPD8028 | Phase 2 |
0.6154 | Remote Similarity | NPD5328 | Approved |
0.6133 | Remote Similarity | NPD4191 | Approved |
0.6133 | Remote Similarity | NPD4193 | Approved |
0.6133 | Remote Similarity | NPD4192 | Approved |
0.6133 | Remote Similarity | NPD4194 | Approved |
0.6105 | Remote Similarity | NPD4697 | Phase 3 |
0.6087 | Remote Similarity | NPD5207 | Approved |
0.6082 | Remote Similarity | NPD4696 | Approved |
0.6082 | Remote Similarity | NPD5286 | Approved |
0.6082 | Remote Similarity | NPD5285 | Approved |
0.6044 | Remote Similarity | NPD6672 | Approved |
0.6044 | Remote Similarity | NPD5737 | Approved |
0.6042 | Remote Similarity | NPD6083 | Phase 2 |
0.6042 | Remote Similarity | NPD6084 | Phase 2 |
0.6042 | Remote Similarity | NPD4755 | Approved |
0.6027 | Remote Similarity | NPD8779 | Phase 3 |
0.6024 | Remote Similarity | NPD8264 | Approved |
0.6022 | Remote Similarity | NPD7515 | Phase 2 |
0.602 | Remote Similarity | NPD5223 | Approved |
0.6 | Remote Similarity | NPD5654 | Approved |
0.5979 | Remote Similarity | NPD5696 | Approved |
0.5978 | Remote Similarity | NPD6101 | Approved |
0.5978 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5978 | Remote Similarity | NPD6080 | Approved |
0.5978 | Remote Similarity | NPD6904 | Approved |
0.5978 | Remote Similarity | NPD6673 | Approved |
0.5977 | Remote Similarity | NPD4692 | Approved |
0.5977 | Remote Similarity | NPD4139 | Approved |
0.5972 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.596 | Remote Similarity | NPD5211 | Phase 2 |
0.596 | Remote Similarity | NPD5225 | Approved |
0.596 | Remote Similarity | NPD5226 | Approved |
0.596 | Remote Similarity | NPD5091 | Approved |
0.596 | Remote Similarity | NPD4633 | Approved |
0.596 | Remote Similarity | NPD5224 | Approved |
0.5957 | Remote Similarity | NPD4202 | Approved |
0.5955 | Remote Similarity | NPD3668 | Phase 3 |
0.5938 | Remote Similarity | NPD7614 | Phase 1 |
0.5934 | Remote Similarity | NPD3573 | Approved |
0.5918 | Remote Similarity | NPD6404 | Discontinued |
0.5918 | Remote Similarity | NPD4700 | Approved |
0.5918 | Remote Similarity | NPD2066 | Phase 3 |
0.59 | Remote Similarity | NPD5174 | Approved |
0.59 | Remote Similarity | NPD5175 | Approved |
0.5895 | Remote Similarity | NPD5122 | Clinical (unspecified phase) |
0.5895 | Remote Similarity | NPD7748 | Approved |
0.5895 | Remote Similarity | NPD5282 | Discontinued |
0.5876 | Remote Similarity | NPD5959 | Approved |
0.5851 | Remote Similarity | NPD6411 | Approved |
0.5851 | Remote Similarity | NPD5693 | Phase 1 |
0.5843 | Remote Similarity | NPD4788 | Approved |
0.5843 | Remote Similarity | NPD6110 | Phase 1 |
0.5842 | Remote Similarity | NPD5141 | Approved |
0.5824 | Remote Similarity | NPD7146 | Approved |
0.5824 | Remote Similarity | NPD7521 | Approved |
0.5824 | Remote Similarity | NPD6409 | Approved |
0.5824 | Remote Similarity | NPD6684 | Approved |
0.5824 | Remote Similarity | NPD5330 | Approved |
0.5824 | Remote Similarity | NPD7334 | Approved |
0.5824 | Remote Similarity | NPD6098 | Approved |
0.5789 | Remote Similarity | NPD5779 | Approved |
0.5789 | Remote Similarity | NPD5778 | Approved |
0.5789 | Remote Similarity | NPD7631 | Approved |
0.5789 | Remote Similarity | NPD6399 | Phase 3 |
0.5743 | Remote Similarity | NPD4754 | Approved |
0.573 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD5697 | Approved |
0.5714 | Remote Similarity | NPD1694 | Approved |
0.5714 | Remote Similarity | NPD5363 | Approved |
0.5714 | Remote Similarity | NPD368 | Approved |
0.5714 | Remote Similarity | NPD7902 | Approved |
0.5699 | Remote Similarity | NPD6903 | Approved |
0.5699 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD5208 | Approved |
0.5684 | Remote Similarity | NPD7609 | Phase 3 |
0.5673 | Remote Similarity | NPD6881 | Approved |
0.5673 | Remote Similarity | NPD5128 | Approved |
0.5673 | Remote Similarity | NPD6899 | Approved |
0.5673 | Remote Similarity | NPD5168 | Approved |
0.5673 | Remote Similarity | NPD6011 | Approved |
0.5673 | Remote Similarity | NPD4730 | Approved |
0.5673 | Remote Similarity | NPD4729 | Approved |
0.5631 | Remote Similarity | NPD6402 | Approved |
0.5631 | Remote Similarity | NPD6675 | Approved |
0.5631 | Remote Similarity | NPD5739 | Approved |
0.5631 | Remote Similarity | NPD4768 | Approved |
0.5631 | Remote Similarity | NPD7128 | Approved |
0.5631 | Remote Similarity | NPD4767 | Approved |
0.5619 | Remote Similarity | NPD6014 | Approved |
0.5619 | Remote Similarity | NPD6012 | Approved |
0.5619 | Remote Similarity | NPD6013 | Approved |
0.5616 | Remote Similarity | NPD539 | Approved |
0.561 | Remote Similarity | NPD6922 | Approved |
0.561 | Remote Similarity | NPD6923 | Approved |
PubChem CID   | 21589522 |
ChEMBL   | CHEMBL459446 |
ZINC   |
Molecular Weight:   | 246.13 |
ALogP:   | 0.9134 |
MLogP:   | 2.78 |
XLogP:   | 2.038 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 54.37 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 18 |