Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 40000 | nM | 6827534 |
NPT176 | Organism | Artemia salina | Artemia salina | Activity | = | 70.78 | % | PubChem BioAssay data set |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 40000 | nM | 11858751 |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 40000 | nM | 18281952 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 40000 | nM | 2342057 |
NPT659 | Cell Line | SMMC-7721 | Homo sapiens | IC50 | > | 40000 | nM | 10.1007/s00044-012-0184-x |
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 NPC280903 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 |
---|---|---|
0.9829 | High Similarity | NPC470537 |
0.8974 | High Similarity | NPC470538 |
0.8361 | Intermediate Similarity | NPC476952 |
0.808 | Intermediate Similarity | NPC88190 |
0.7846 | Intermediate Similarity | NPC476951 |
0.7594 | Intermediate Similarity | NPC470539 |
0.7581 | Intermediate Similarity | NPC470534 |
0.754 | Intermediate Similarity | NPC470540 |
0.736 | Intermediate Similarity | NPC470532 |
0.736 | Intermediate Similarity | NPC470531 |
0.736 | Intermediate Similarity | NPC470528 |
0.736 | Intermediate Similarity | NPC470533 |
0.736 | Intermediate Similarity | NPC470529 |
0.736 | Intermediate Similarity | NPC470530 |
0.736 | Intermediate Similarity | NPC470527 |
0.7259 | Intermediate Similarity | NPC212106 |
0.7231 | Intermediate Similarity | NPC96731 |
0.7131 | Intermediate Similarity | NPC474348 |
0.7068 | Intermediate Similarity | NPC476504 |
0.7008 | Intermediate Similarity | NPC470536 |
0.7007 | Intermediate Similarity | NPC476957 |
0.694 | Remote Similarity | NPC238323 |
0.6929 | Remote Similarity | NPC470535 |
0.6912 | Remote Similarity | NPC476503 |
0.6838 | Remote Similarity | NPC473477 |
0.68 | Remote Similarity | NPC194750 |
0.68 | Remote Similarity | NPC287638 |
0.68 | Remote Similarity | NPC233274 |
0.6791 | Remote Similarity | NPC35037 |
0.6772 | Remote Similarity | NPC86906 |
0.6746 | Remote Similarity | NPC97336 |
0.6742 | Remote Similarity | NPC476499 |
0.6719 | Remote Similarity | NPC46981 |
0.6716 | Remote Similarity | NPC471109 |
0.6693 | Remote Similarity | NPC475239 |
0.6643 | Remote Similarity | NPC477072 |
0.662 | Remote Similarity | NPC189393 |
0.662 | Remote Similarity | NPC90814 |
0.6617 | Remote Similarity | NPC135431 |
0.6614 | Remote Similarity | NPC140723 |
0.6593 | Remote Similarity | NPC476956 |
0.6591 | Remote Similarity | NPC476498 |
0.6589 | Remote Similarity | NPC59530 |
0.6567 | Remote Similarity | NPC209252 |
0.6565 | Remote Similarity | NPC473232 |
0.6562 | Remote Similarity | NPC212874 |
0.6549 | Remote Similarity | NPC478139 |
0.6538 | Remote Similarity | NPC469845 |
0.6515 | Remote Similarity | NPC79238 |
0.6504 | Remote Similarity | NPC240617 |
0.6493 | Remote Similarity | NPC123117 |
0.6489 | Remote Similarity | NPC274895 |
0.6484 | Remote Similarity | NPC265094 |
0.6444 | Remote Similarity | NPC476502 |
0.6439 | Remote Similarity | NPC475463 |
0.6439 | Remote Similarity | NPC287764 |
0.6439 | Remote Similarity | NPC63511 |
0.6438 | Remote Similarity | NPC474210 |
0.6438 | Remote Similarity | NPC243902 |
0.6434 | Remote Similarity | NPC119329 |
0.6434 | Remote Similarity | NPC471293 |
0.6418 | Remote Similarity | NPC478137 |
0.64 | Remote Similarity | NPC471822 |
0.64 | Remote Similarity | NPC42042 |
0.64 | Remote Similarity | NPC289140 |
0.6393 | Remote Similarity | NPC20388 |
0.6389 | Remote Similarity | NPC139585 |
0.6385 | Remote Similarity | NPC472655 |
0.6385 | Remote Similarity | NPC233256 |
0.6385 | Remote Similarity | NPC195841 |
0.6385 | Remote Similarity | NPC231530 |
0.6385 | Remote Similarity | NPC252234 |
0.6385 | Remote Similarity | NPC471844 |
0.6385 | Remote Similarity | NPC278628 |
0.6383 | Remote Similarity | NPC474371 |
0.6364 | Remote Similarity | NPC309249 |
0.635 | Remote Similarity | NPC9714 |
0.6349 | Remote Similarity | NPC253586 |
0.6345 | Remote Similarity | NPC476111 |
0.6343 | Remote Similarity | NPC234042 |
0.6343 | Remote Similarity | NPC152117 |
0.6331 | Remote Similarity | NPC242692 |
0.6328 | Remote Similarity | NPC39683 |
0.6324 | Remote Similarity | NPC138372 |
0.6324 | Remote Similarity | NPC106228 |
0.632 | Remote Similarity | NPC48330 |
0.6316 | Remote Similarity | NPC5284 |
0.6316 | Remote Similarity | NPC48305 |
0.6316 | Remote Similarity | NPC250956 |
0.6316 | Remote Similarity | NPC272898 |
0.6316 | Remote Similarity | NPC470065 |
0.6316 | Remote Similarity | NPC473036 |
0.6316 | Remote Similarity | NPC474923 |
0.6308 | Remote Similarity | NPC96268 |
0.6304 | Remote Similarity | NPC469380 |
0.6299 | Remote Similarity | NPC119036 |
0.6299 | Remote Similarity | NPC474793 |
0.6296 | Remote Similarity | NPC106479 |
0.6296 | Remote Similarity | NPC52634 |
0.6296 | Remote Similarity | NPC477963 |
0.6294 | Remote Similarity | NPC173173 |
0.6288 | Remote Similarity | NPC258323 |
0.6288 | Remote Similarity | NPC94529 |
0.6286 | Remote Similarity | NPC472458 |
0.6281 | Remote Similarity | NPC167877 |
0.6279 | Remote Similarity | NPC473788 |
0.6279 | Remote Similarity | NPC475558 |
0.6279 | Remote Similarity | NPC124544 |
0.6279 | Remote Similarity | NPC22388 |
0.6277 | Remote Similarity | NPC473656 |
0.627 | Remote Similarity | NPC173272 |
0.627 | Remote Similarity | NPC471843 |
0.6268 | Remote Similarity | NPC265275 |
0.6268 | Remote Similarity | NPC94881 |
0.6268 | Remote Similarity | NPC48886 |
0.626 | Remote Similarity | NPC470587 |
0.6259 | Remote Similarity | NPC11379 |
0.625 | Remote Similarity | NPC267921 |
0.625 | Remote Similarity | NPC477521 |
0.625 | Remote Similarity | NPC108371 |
0.625 | Remote Similarity | NPC471041 |
0.6242 | Remote Similarity | NPC287885 |
0.6241 | Remote Similarity | NPC218853 |
0.6241 | Remote Similarity | NPC477069 |
0.6241 | Remote Similarity | NPC477070 |
0.6241 | Remote Similarity | NPC475588 |
0.6232 | Remote Similarity | NPC471121 |
0.6232 | Remote Similarity | NPC470276 |
0.6232 | Remote Similarity | NPC475372 |
0.6232 | Remote Similarity | NPC471118 |
0.6231 | Remote Similarity | NPC474775 |
0.6231 | Remote Similarity | NPC87927 |
0.6231 | Remote Similarity | NPC159442 |
0.6231 | Remote Similarity | NPC36688 |
0.6231 | Remote Similarity | NPC471005 |
0.623 | Remote Similarity | NPC203170 |
0.6224 | Remote Similarity | NPC96010 |
0.6224 | Remote Similarity | NPC476501 |
0.6224 | Remote Similarity | NPC204556 |
0.6224 | Remote Similarity | NPC317654 |
0.6222 | Remote Similarity | NPC126691 |
0.6222 | Remote Similarity | NPC469466 |
0.6214 | Remote Similarity | NPC470277 |
0.6212 | Remote Similarity | NPC473037 |
0.6212 | Remote Similarity | NPC176773 |
0.621 | Remote Similarity | NPC26888 |
0.621 | Remote Similarity | NPC150383 |
0.621 | Remote Similarity | NPC474631 |
0.6207 | Remote Similarity | NPC201359 |
0.6202 | Remote Similarity | NPC236585 |
0.6197 | Remote Similarity | NPC321197 |
0.6194 | Remote Similarity | NPC42776 |
0.6194 | Remote Similarity | NPC475563 |
0.6194 | Remote Similarity | NPC101450 |
0.6194 | Remote Similarity | NPC139778 |
0.6194 | Remote Similarity | NPC197428 |
0.6194 | Remote Similarity | NPC472313 |
0.6194 | Remote Similarity | NPC475134 |
0.619 | Remote Similarity | NPC279974 |
0.619 | Remote Similarity | NPC470016 |
0.619 | Remote Similarity | NPC317586 |
0.6187 | Remote Similarity | NPC19028 |
0.6187 | Remote Similarity | NPC9674 |
0.6187 | Remote Similarity | NPC161065 |
0.6187 | Remote Similarity | NPC312536 |
0.6183 | Remote Similarity | NPC28656 |
0.6183 | Remote Similarity | NPC29705 |
0.6181 | Remote Similarity | NPC478136 |
0.6181 | Remote Similarity | NPC476497 |
0.6179 | Remote Similarity | NPC474889 |
0.6179 | Remote Similarity | NPC474679 |
0.6176 | Remote Similarity | NPC255017 |
0.6176 | Remote Similarity | NPC312017 |
0.6176 | Remote Similarity | NPC28224 |
0.6176 | Remote Similarity | NPC194100 |
0.6176 | Remote Similarity | NPC9848 |
0.6176 | Remote Similarity | NPC472757 |
0.6174 | Remote Similarity | NPC246209 |
0.6172 | Remote Similarity | NPC271387 |
0.6172 | Remote Similarity | NPC91604 |
0.6172 | Remote Similarity | NPC38471 |
0.6172 | Remote Similarity | NPC28864 |
0.6172 | Remote Similarity | NPC153792 |
0.6172 | Remote Similarity | NPC38296 |
0.6172 | Remote Similarity | NPC472028 |
0.6172 | Remote Similarity | NPC162459 |
0.6172 | Remote Similarity | NPC98837 |
0.6172 | Remote Similarity | NPC477854 |
0.6172 | Remote Similarity | NPC20479 |
0.617 | Remote Similarity | NPC222688 |
0.6165 | Remote Similarity | NPC472218 |
0.6165 | Remote Similarity | NPC19412 |
0.6165 | Remote Similarity | NPC472217 |
0.6165 | Remote Similarity | NPC472219 |
0.6165 | Remote Similarity | NPC469844 |
0.6164 | Remote Similarity | NPC475472 |
0.616 | Remote Similarity | NPC477435 |
0.616 | Remote Similarity | NPC469315 |
0.616 | Remote Similarity | NPC470224 |
0.616 | Remote Similarity | NPC477436 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC280903 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 |
---|---|---|---|
0.6791 | Remote Similarity | NPD7517 | Approved |
0.6791 | Remote Similarity | NPD7519 | Approved |
0.6791 | Remote Similarity | NPD7518 | Approved |
0.6715 | Remote Similarity | NPD7122 | Discontinued |
0.669 | Remote Similarity | NPD6845 | Suspended |
0.6449 | Remote Similarity | NPD6908 | Approved |
0.6449 | Remote Similarity | NPD6909 | Approved |
0.64 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.626 | Remote Similarity | NPD7333 | Discontinued |
0.6204 | Remote Similarity | NPD6940 | Discontinued |
0.6181 | Remote Similarity | NPD8337 | Approved |
0.6181 | Remote Similarity | NPD8336 | Approved |
0.6164 | Remote Similarity | NPD7260 | Phase 2 |
0.6159 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD6920 | Discontinued |
0.6136 | Remote Similarity | NPD6008 | Approved |
0.6133 | Remote Similarity | NPD6334 | Approved |
0.6133 | Remote Similarity | NPD6333 | Approved |
0.6124 | Remote Similarity | NPD8418 | Phase 2 |
0.6122 | Remote Similarity | NPD8338 | Approved |
0.6099 | Remote Similarity | NPD6921 | Approved |
0.6045 | Remote Similarity | NPD7320 | Approved |
0.6032 | Remote Similarity | NPD6399 | Phase 3 |
0.6015 | Remote Similarity | NPD5739 | Approved |
0.6015 | Remote Similarity | NPD6675 | Approved |
0.6015 | Remote Similarity | NPD7128 | Approved |
0.6015 | Remote Similarity | NPD6402 | Approved |
0.6014 | Remote Similarity | NPD8449 | Approved |
0.5986 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5986 | Remote Similarity | NPD7751 | Phase 1 |
0.5973 | Remote Similarity | NPD8450 | Suspended |
0.5971 | Remote Similarity | NPD7755 | Approved |
0.5971 | Remote Similarity | NPD7754 | Approved |
0.5942 | Remote Similarity | NPD8298 | Phase 2 |
0.5926 | Remote Similarity | NPD6881 | Approved |
0.5926 | Remote Similarity | NPD6899 | Approved |
0.5903 | Remote Similarity | NPD7604 | Phase 2 |
0.589 | Remote Similarity | NPD7078 | Approved |
0.5882 | Remote Similarity | NPD6373 | Approved |
0.5882 | Remote Similarity | NPD6372 | Approved |
0.587 | Remote Similarity | NPD6053 | Discontinued |
0.587 | Remote Similarity | NPD7335 | Phase 2 |
0.587 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD7336 | Phase 2 |
0.5862 | Remote Similarity | NPD7492 | Approved |
0.5852 | Remote Similarity | NPD5697 | Approved |
0.5852 | Remote Similarity | NPD5701 | Approved |
0.5839 | Remote Similarity | NPD7290 | Approved |
0.5839 | Remote Similarity | NPD7102 | Approved |
0.5839 | Remote Similarity | NPD6883 | Approved |
0.5833 | Remote Similarity | NPD8080 | Discontinued |
0.5827 | Remote Similarity | NPD8035 | Phase 2 |
0.5827 | Remote Similarity | NPD8034 | Phase 2 |
0.5822 | Remote Similarity | NPD7507 | Approved |
0.5822 | Remote Similarity | NPD6616 | Approved |
0.5804 | Remote Similarity | NPD7147 | Phase 3 |
0.5804 | Remote Similarity | NPD6054 | Approved |
0.5804 | Remote Similarity | NPD7148 | Clinical (unspecified phase) |
0.5804 | Remote Similarity | NPD6059 | Approved |
0.5802 | Remote Similarity | NPD7638 | Approved |
0.58 | Remote Similarity | NPD2613 | Approved |
0.5797 | Remote Similarity | NPD6869 | Approved |
0.5797 | Remote Similarity | NPD6847 | Approved |
0.5797 | Remote Similarity | NPD8130 | Phase 1 |
0.5797 | Remote Similarity | NPD6649 | Approved |
0.5797 | Remote Similarity | NPD6617 | Approved |
0.5797 | Remote Similarity | NPD6650 | Approved |
0.5782 | Remote Similarity | NPD8293 | Discontinued |
0.5766 | Remote Similarity | NPD6012 | Approved |
0.5766 | Remote Similarity | NPD6014 | Approved |
0.5766 | Remote Similarity | NPD6013 | Approved |
0.5758 | Remote Similarity | NPD7640 | Approved |
0.5758 | Remote Similarity | NPD7639 | Approved |
0.5755 | Remote Similarity | NPD8297 | Approved |
0.5755 | Remote Similarity | NPD6882 | Approved |
0.5743 | Remote Similarity | NPD7736 | Approved |
0.5735 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD8140 | Approved |
0.5735 | Remote Similarity | NPD8307 | Discontinued |
0.5724 | Remote Similarity | NPD6370 | Approved |
0.5714 | Remote Similarity | NPD4264 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8273 | Phase 1 |
0.5714 | Remote Similarity | NPD4632 | Approved |
0.5705 | Remote Similarity | NPD7319 | Approved |
0.5704 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5703 | Remote Similarity | NPD6411 | Approved |
0.5694 | Remote Similarity | NPD6319 | Approved |
0.5693 | Remote Similarity | NPD6415 | Discontinued |
0.5693 | Remote Similarity | NPD6011 | Approved |
0.5686 | Remote Similarity | NPD2571 | Approved |
0.5686 | Remote Similarity | NPD4746 | Phase 3 |
0.5686 | Remote Similarity | NPD4745 | Approved |
0.5686 | Remote Similarity | NPD3087 | Approved |
0.5686 | Remote Similarity | NPD2566 | Approved |
0.5686 | Remote Similarity | NPD3089 | Approved |
0.5686 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD3090 | Approved |
0.5686 | Remote Similarity | NPD2574 | Discontinued |
0.5686 | Remote Similarity | NPD2573 | Approved |
0.5686 | Remote Similarity | NPD2572 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD3615 | Approved |
0.5686 | Remote Similarity | NPD3614 | Approved |
0.5686 | Remote Similarity | NPD3616 | Approved |
0.5686 | Remote Similarity | NPD2570 | Approved |
0.5686 | Remote Similarity | NPD3088 | Approved |
0.5683 | Remote Similarity | NPD6401 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD7632 | Discontinued |
0.5669 | Remote Similarity | NPD5328 | Approved |
0.5664 | Remote Similarity | NPD7641 | Discontinued |
0.5662 | Remote Similarity | NPD8040 | Discontinued |
0.5659 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5655 | Remote Similarity | NPD6016 | Approved |
0.5655 | Remote Similarity | NPD6015 | Approved |
0.5652 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5633 | Remote Similarity | NPD5193 | Discontinued |
0.5621 | Remote Similarity | NPD8415 | Approved |
0.562 | Remote Similarity | NPD6412 | Phase 2 |
0.5616 | Remote Similarity | NPD5988 | Approved |
0.5613 | Remote Similarity | NPD4686 | Approved |
0.5613 | Remote Similarity | NPD4684 | Phase 3 |
0.5613 | Remote Similarity | NPD4685 | Phase 3 |
0.5612 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD6420 | Discontinued |
0.5606 | Remote Similarity | NPD4755 | Approved |
0.5606 | Remote Similarity | NPD6083 | Phase 2 |
0.5606 | Remote Similarity | NPD6084 | Phase 2 |
0.56 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
PubChem CID   | 21589083 |
ChEMBL   | CHEMBL2063000 |
ZINC   |
Molecular Weight:   | 487.26 |
ALogP:   | -0.7019 |
MLogP:   | 3.55 |
XLogP:   | 1.487 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 102.37 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 1 |
# Rings:   | 6 |
# Heavy Atoms:   | 35 |