Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4492 | Individual Protein | P2Y purinoceptor 1 | Meleagris gallopavo | EC50 | = | 19000 | nM | 12213051 |
NPT3829 | Individual Protein | Purinergic receptor P2Y11 | Homo sapiens | EC50 | = | 9000 | nM | 12213051 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Ratio | = | 6.7 | 17620380 | |
NPT2 | Others | Unspecified | Ratio | = | 1.7 | 17620380 | ||
NPT2 | Others | Unspecified | Kd | = | 6900 | nM | 17620380 | |
NPT2 | Others | Unspecified | Kd | = | 7500 | nM | 17620380 | |
NPT2 | Others | Unspecified | Inhibition | = | 75 | % | 17620380 | |
NPT2 | Others | Unspecified | Inhibition | = | 1.6 | % | 17620380 | |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Activity | = | 24.4 | /s | 19596885 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Kd | = | 3200 | nM | 19596885 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Ratio | = | 7.6 | /uM/s | 19596885 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Kd | = | 3200 | nM | 21700368 |
NPT2 | Others | Unspecified | Kd | = | 2500 | nM | 21700368 | |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Ratio | = | 455 | /uM/min | 21700368 |
NPT2 | Others | Unspecified | Ratio | = | 355 | /uM/min | 21700368 | |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Kd | = | 4600 | nM | 22595174 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | Activity | = | 2.7 | /s/microM | 22595174 |
NPT2 | Others | Unspecified | Kd | = | 6600 | nM | 22595174 | |
NPT2 | Others | Unspecified | Activity | = | 0.61 | /s/microM | 22595174 | |
NPT4216 | Individual Protein | Thymidine kinase, cytosolic | Cricetulus griseus | Activity | = | 107 | % | 458818 |
NPT1755 | Individual Protein | Thymidine kinase, cytosolic | Homo sapiens | Activity | = | 108 | % | 458818 |
NPT4863 | Individual Protein | Thymidine kinase, mitochondrial | Homo sapiens | Activity | = | 56 | % | 458818 |
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 NPC161224 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 |
---|---|---|
0.9787 | High Similarity | NPC174802 |
0.9783 | High Similarity | NPC121222 |
0.9716 | High Similarity | NPC164952 |
0.9716 | High Similarity | NPC130586 |
0.965 | High Similarity | NPC226245 |
0.9574 | High Similarity | NPC211025 |
0.9574 | High Similarity | NPC185991 |
0.9574 | High Similarity | NPC85689 |
0.9507 | High Similarity | NPC321814 |
0.9441 | High Similarity | NPC302778 |
0.9441 | High Similarity | NPC212551 |
0.9379 | High Similarity | NPC316618 |
0.9324 | High Similarity | NPC323091 |
0.931 | High Similarity | NPC224076 |
0.9275 | High Similarity | NPC209525 |
0.9275 | High Similarity | NPC161659 |
0.9149 | High Similarity | NPC156461 |
0.9149 | High Similarity | NPC21448 |
0.9149 | High Similarity | NPC107374 |
0.9143 | High Similarity | NPC314152 |
0.9085 | High Similarity | NPC189068 |
0.9085 | High Similarity | NPC164665 |
0.9079 | High Similarity | NPC326082 |
0.9021 | High Similarity | NPC219313 |
0.9021 | High Similarity | NPC269827 |
0.9021 | High Similarity | NPC309832 |
0.9007 | High Similarity | NPC229974 |
0.8865 | High Similarity | NPC317821 |
0.8846 | High Similarity | NPC326529 |
0.879 | High Similarity | NPC189261 |
0.879 | High Similarity | NPC324198 |
0.879 | High Similarity | NPC319100 |
0.8766 | High Similarity | NPC321458 |
0.8766 | High Similarity | NPC324033 |
0.8716 | High Similarity | NPC472816 |
0.8701 | High Similarity | NPC261595 |
0.8609 | High Similarity | NPC239737 |
0.8467 | Intermediate Similarity | NPC207633 |
0.8403 | Intermediate Similarity | NPC129756 |
0.8389 | Intermediate Similarity | NPC136349 |
0.8344 | Intermediate Similarity | NPC328479 |
0.8333 | Intermediate Similarity | NPC33996 |
0.8333 | Intermediate Similarity | NPC150853 |
0.8301 | Intermediate Similarity | NPC52238 |
0.8247 | Intermediate Similarity | NPC54320 |
0.8247 | Intermediate Similarity | NPC313754 |
0.8247 | Intermediate Similarity | NPC311197 |
0.8243 | Intermediate Similarity | NPC317746 |
0.8207 | Intermediate Similarity | NPC30326 |
0.8188 | Intermediate Similarity | NPC232408 |
0.8188 | Intermediate Similarity | NPC64705 |
0.8176 | Intermediate Similarity | NPC318590 |
0.8121 | Intermediate Similarity | NPC177169 |
0.8077 | Intermediate Similarity | NPC195140 |
0.8069 | Intermediate Similarity | NPC320818 |
0.8054 | Intermediate Similarity | NPC211820 |
0.8054 | Intermediate Similarity | NPC251233 |
0.8041 | Intermediate Similarity | NPC186619 |
0.8 | Intermediate Similarity | NPC89147 |
0.8 | Intermediate Similarity | NPC274384 |
0.7937 | Intermediate Similarity | NPC324484 |
0.7901 | Intermediate Similarity | NPC290959 |
0.7888 | Intermediate Similarity | NPC325906 |
0.7857 | Intermediate Similarity | NPC326694 |
0.7785 | Intermediate Similarity | NPC93365 |
0.7702 | Intermediate Similarity | NPC14590 |
0.7635 | Intermediate Similarity | NPC262926 |
0.7584 | Intermediate Similarity | NPC61198 |
0.75 | Intermediate Similarity | NPC313897 |
0.7421 | Intermediate Similarity | NPC321052 |
0.7399 | Intermediate Similarity | NPC24589 |
0.7383 | Intermediate Similarity | NPC324009 |
0.7371 | Intermediate Similarity | NPC282458 |
0.7371 | Intermediate Similarity | NPC78941 |
0.7333 | Intermediate Similarity | NPC319221 |
0.729 | Intermediate Similarity | NPC315642 |
0.729 | Intermediate Similarity | NPC74306 |
0.7079 | Intermediate Similarity | NPC313514 |
0.6941 | Remote Similarity | NPC33382 |
0.6901 | Remote Similarity | NPC168702 |
0.6901 | Remote Similarity | NPC125659 |
0.6898 | Remote Similarity | NPC276373 |
0.6866 | Remote Similarity | NPC107160 |
0.6862 | Remote Similarity | NPC5802 |
0.6825 | Remote Similarity | NPC157821 |
0.6821 | Remote Similarity | NPC222174 |
0.6765 | Remote Similarity | NPC21461 |
0.6714 | Remote Similarity | NPC476564 |
0.671 | Remote Similarity | NPC57279 |
0.6706 | Remote Similarity | NPC321393 |
0.6689 | Remote Similarity | NPC327579 |
0.6688 | Remote Similarity | NPC246193 |
0.6688 | Remote Similarity | NPC104011 |
0.6667 | Remote Similarity | NPC158055 |
0.6619 | Remote Similarity | NPC174114 |
0.6619 | Remote Similarity | NPC87981 |
0.6483 | Remote Similarity | NPC312187 |
0.6483 | Remote Similarity | NPC4837 |
0.6436 | Remote Similarity | NPC250178 |
0.6364 | Remote Similarity | NPC248007 |
0.6316 | Remote Similarity | NPC472834 |
0.625 | Remote Similarity | NPC18335 |
0.6224 | Remote Similarity | NPC103388 |
0.6169 | Remote Similarity | NPC139776 |
0.6164 | Remote Similarity | NPC287876 |
0.6132 | Remote Similarity | NPC160666 |
0.6101 | Remote Similarity | NPC14330 |
0.6013 | Remote Similarity | NPC68938 |
0.6012 | Remote Similarity | NPC217656 |
0.5976 | Remote Similarity | NPC89139 |
0.5964 | Remote Similarity | NPC296437 |
0.5928 | Remote Similarity | NPC470266 |
0.5886 | Remote Similarity | NPC109322 |
0.5872 | Remote Similarity | NPC244700 |
0.586 | Remote Similarity | NPC164845 |
0.5858 | Remote Similarity | NPC476433 |
0.5858 | Remote Similarity | NPC476528 |
0.5824 | Remote Similarity | NPC476013 |
0.5824 | Remote Similarity | NPC476520 |
0.5824 | Remote Similarity | NPC476522 |
0.5824 | Remote Similarity | NPC474986 |
0.5819 | Remote Similarity | NPC472833 |
0.5814 | Remote Similarity | NPC476408 |
0.5812 | Remote Similarity | NPC265111 |
0.5806 | Remote Similarity | NPC189314 |
0.5789 | Remote Similarity | NPC476521 |
0.5782 | Remote Similarity | NPC476561 |
0.5767 | Remote Similarity | NPC473585 |
0.5723 | Remote Similarity | NPC5707 |
0.5722 | Remote Similarity | NPC472832 |
0.5722 | Remote Similarity | NPC18308 |
0.5714 | Remote Similarity | NPC313547 |
0.5652 | Remote Similarity | NPC180493 |
0.56 | Remote Similarity | NPC476099 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC161224 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 |
---|---|---|---|
0.9787 | High Similarity | NPD339 | Approved |
0.9716 | High Similarity | NPD338 | Approved |
0.9574 | High Similarity | NPD283 | Approved |
0.9441 | High Similarity | NPD242 | Approved |
0.931 | High Similarity | NPD169 | Phase 2 |
0.9149 | High Similarity | NPD250 | Approved |
0.9149 | High Similarity | NPD249 | Approved |
0.9143 | High Similarity | NPD185 | Approved |
0.9073 | High Similarity | NPD7988 | Suspended |
0.9021 | High Similarity | NPD186 | Discovery |
0.9021 | High Similarity | NPD195 | Approved |
0.9014 | High Similarity | NPD166 | Approved |
0.9 | High Similarity | NPD193 | Suspended |
0.879 | High Similarity | NPD4171 | Clinical (unspecified phase) |
0.8784 | High Similarity | NPD1750 | Clinical (unspecified phase) |
0.8784 | High Similarity | NPD3107 | Discontinued |
0.8784 | High Similarity | NPD1369 | Phase 2 |
0.8734 | High Similarity | NPD1412 | Clinical (unspecified phase) |
0.8701 | High Similarity | NPD247 | Clinical (unspecified phase) |
0.8625 | High Similarity | NPD4716 | Approved |
0.8609 | High Similarity | NPD2646 | Discontinued |
0.8609 | High Similarity | NPD1732 | Phase 3 |
0.8609 | High Similarity | NPD2624 | Phase 2 |
0.8571 | High Similarity | NPD4744 | Clinical (unspecified phase) |
0.8506 | High Similarity | NPD3083 | Approved |
0.8389 | Intermediate Similarity | NPD548 | Clinical (unspecified phase) |
0.8364 | Intermediate Similarity | NPD6417 | Clinical (unspecified phase) |
0.8263 | Intermediate Similarity | NPD2631 | Clinical (unspecified phase) |
0.8263 | Intermediate Similarity | NPD2630 | Approved |
0.8263 | Intermediate Similarity | NPD2632 | Approved |
0.8247 | Intermediate Similarity | NPD217 | Approved |
0.8247 | Intermediate Similarity | NPD216 | Approved |
0.8247 | Intermediate Similarity | NPD219 | Phase 3 |
0.8247 | Intermediate Similarity | NPD220 | Clinical (unspecified phase) |
0.8247 | Intermediate Similarity | NPD218 | Approved |
0.8227 | Intermediate Similarity | NPD248 | Discontinued |
0.8176 | Intermediate Similarity | NPD2647 | Phase 3 |
0.817 | Intermediate Similarity | NPD214 | Approved |
0.817 | Intermediate Similarity | NPD213 | Clinical (unspecified phase) |
0.8085 | Intermediate Similarity | NPD870 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD7158 | Phase 1 |
0.7927 | Intermediate Similarity | NPD5666 | Phase 2 |
0.7902 | Intermediate Similarity | NPD9633 | Phase 3 |
0.7888 | Intermediate Similarity | NPD1776 | Approved |
0.7888 | Intermediate Similarity | NPD1777 | Approved |
0.7857 | Intermediate Similarity | NPD3085 | Phase 1 |
0.7817 | Intermediate Similarity | NPD9408 | Phase 3 |
0.7806 | Intermediate Similarity | NPD3086 | Phase 3 |
0.7785 | Intermediate Similarity | NPD546 | Clinical (unspecified phase) |
0.7736 | Intermediate Similarity | NPD4074 | Clinical (unspecified phase) |
0.7724 | Intermediate Similarity | NPD9632 | Phase 3 |
0.7616 | Intermediate Similarity | NPD3695 | Approved |
0.7616 | Intermediate Similarity | NPD3696 | Approved |
0.7602 | Intermediate Similarity | NPD1692 | Approved |
0.7586 | Intermediate Similarity | NPD4054 | Clinical (unspecified phase) |
0.7584 | Intermediate Similarity | NPD252 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD5682 | Phase 3 |
0.7514 | Intermediate Similarity | NPD5683 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD5684 | Clinical (unspecified phase) |
0.7423 | Intermediate Similarity | NPD516 | Clinical (unspecified phase) |
0.74 | Intermediate Similarity | NPD194 | Clinical (unspecified phase) |
0.7386 | Intermediate Similarity | NPD549 | Approved |
0.7308 | Intermediate Similarity | NPD171 | Discontinued |
0.7296 | Intermediate Similarity | NPD3708 | Phase 2 |
0.729 | Intermediate Similarity | NPD582 | Approved |
0.7244 | Intermediate Similarity | NPD4240 | Approved |
0.7205 | Intermediate Similarity | NPD536 | Clinical (unspecified phase) |
0.7079 | Intermediate Similarity | NPD7138 | Phase 2 |
0.7037 | Intermediate Similarity | NPD353 | Discontinued |
0.7022 | Intermediate Similarity | NPD1063 | Phase 2 |
0.689 | Remote Similarity | NPD231 | Clinical (unspecified phase) |
0.6878 | Remote Similarity | NPD2965 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD2877 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD2876 | Phase 3 |
0.6837 | Remote Similarity | NPD5080 | Phase 2 |
0.6786 | Remote Similarity | NPD5079 | Phase 2 |
0.6771 | Remote Similarity | NPD2824 | Phase 2 |
0.6735 | Remote Similarity | NPD9606 | Approved |
0.6689 | Remote Similarity | NPD9607 | Approved |
0.6687 | Remote Similarity | NPD9605 | Phase 3 |
0.6685 | Remote Similarity | NPD1046 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD6840 | Approved |
0.6633 | Remote Similarity | NPD2902 | Phase 2 |
0.6633 | Remote Similarity | NPD2903 | Clinical (unspecified phase) |
0.6624 | Remote Similarity | NPD1119 | Phase 2 |
0.6615 | Remote Similarity | NPD4495 | Phase 1 |
0.6561 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.6533 | Remote Similarity | NPD9409 | Discontinued |
0.6524 | Remote Similarity | NPD1730 | Discontinued |
0.6481 | Remote Similarity | NPD2253 | Discontinued |
0.6456 | Remote Similarity | NPD1058 | Discontinued |
0.6437 | Remote Similarity | NPD527 | Clinical (unspecified phase) |
0.6419 | Remote Similarity | NPD9374 | Approved |
0.6395 | Remote Similarity | NPD9373 | Approved |
0.6392 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD9084 | Phase 2 |
0.6358 | Remote Similarity | NPD307 | Approved |
0.6329 | Remote Similarity | NPD282 | Approved |
0.631 | Remote Similarity | NPD2152 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD799 | Phase 1 |
0.6289 | Remote Similarity | NPD547 | Clinical (unspecified phase) |
0.628 | Remote Similarity | NPD1430 | Approved |
0.628 | Remote Similarity | NPD1431 | Approved |
0.625 | Remote Similarity | NPD775 | Approved |
0.625 | Remote Similarity | NPD8836 | Approved |
0.622 | Remote Similarity | NPD1118 | Discontinued |
0.6205 | Remote Similarity | NPD4458 | Phase 2 |
0.6205 | Remote Similarity | NPD4459 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.6164 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.6149 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.6139 | Remote Similarity | NPD1128 | Approved |
0.6139 | Remote Similarity | NPD1127 | Approved |
0.6138 | Remote Similarity | NPD207 | Discontinued |
0.6093 | Remote Similarity | NPD9584 | Phase 2 |
0.6054 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.6048 | Remote Similarity | NPD1117 | Clinical (unspecified phase) |
0.6037 | Remote Similarity | NPD6112 | Approved |
0.6022 | Remote Similarity | NPD9582 | Phase 3 |
0.6013 | Remote Similarity | NPD281 | Approved |
0.6012 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD1808 | Phase 1 |
0.5987 | Remote Similarity | NPD798 | Discontinued |
0.5981 | Remote Similarity | NPD6381 | Phase 2 |
0.5976 | Remote Similarity | NPD1120 | Approved |
0.5976 | Remote Similarity | NPD1121 | Approved |
0.593 | Remote Similarity | NPD5486 | Discontinued |
0.5922 | Remote Similarity | NPD2593 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD34 | Approved |
0.59 | Remote Similarity | NPD4715 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4713 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4714 | Approved |
0.5899 | Remote Similarity | NPD7502 | Clinical (unspecified phase) |
0.5894 | Remote Similarity | NPD9375 | Discontinued |
0.5879 | Remote Similarity | NPD535 | Approved |
0.5842 | Remote Similarity | NPD5458 | Discontinued |
0.5813 | Remote Similarity | NPD2453 | Phase 2 |
0.5813 | Remote Similarity | NPD2450 | Phase 2 |
0.5813 | Remote Similarity | NPD2452 | Phase 2 |
0.5813 | Remote Similarity | NPD2451 | Phase 2 |
0.5806 | Remote Similarity | NPD1368 | Approved |
0.5806 | Remote Similarity | NPD8831 | Approved |
0.5806 | Remote Similarity | NPD8833 | Approved |
0.5802 | Remote Similarity | NPD6036 | Suspended |
0.58 | Remote Similarity | NPD9416 | Phase 3 |
0.58 | Remote Similarity | NPD9417 | Phase 3 |
0.5779 | Remote Similarity | NPD757 | Phase 3 |
0.5778 | Remote Similarity | NPD8250 | Phase 2 |
0.5776 | Remote Similarity | NPD1775 | Approved |
0.5776 | Remote Similarity | NPD1085 | Approved |
0.5776 | Remote Similarity | NPD515 | Phase 1 |
0.5759 | Remote Similarity | NPD2221 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD796 | Phase 2 |
0.5723 | Remote Similarity | NPD8830 | Phase 3 |
0.5705 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD3913 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD7842 | Phase 2 |
0.5678 | Remote Similarity | NPD691 | Discontinued |
0.5669 | Remote Similarity | NPD578 | Discontinued |
0.5652 | Remote Similarity | NPD9544 | Approved |
0.5652 | Remote Similarity | NPD78 | Approved |
0.5644 | Remote Similarity | NPD1354 | Approved |
0.5644 | Remote Similarity | NPD1356 | Approved |
0.5644 | Remote Similarity | NPD1355 | Clinical (unspecified phase) |
0.564 | Remote Similarity | NPD9704 | Approved |
0.5633 | Remote Similarity | NPD580 | Discontinued |
PubChem CID   | 15993 |
ChEMBL   | CHEMBL335538 |
ZINC   |
Molecular Weight:   | 491.00 |
ALogP:   | -2.5518 |
MLogP:   | 0.36 |
XLogP:   | -5.324 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 288.33 |
# H-Bond Aceptor:   | 17 |
# H-Bond Donor:   | 6 |
# Rings:   | 3 |
# Heavy Atoms:   | 30 |