Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | = | 1.2 | nM | 17933535 |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | > | 64 | ug/ml | 21634430 |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | = | 0.00045 | ug/ml | 23252603 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | = | 0.0023 | ug/ml | 23252603 |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | = | 0.00087 | ug/ml | 23252603 |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 0.0015 | ug/ml | 23252603 |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.023 | ug/ml | 23252603 |
NPT1081 | Cell Line | BXPC-3 | Homo sapiens | GI50 | = | 0.00095 | ug/ml | 23252603 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 0.00061 | ug/ml | 23252603 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 0.53 | nM | 18163588 |
NPT1228 | Organism | Streptococcus pyogenes | Streptococcus pyogenes | MIC | > | 64 | ug/ml | 12109907 |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | = | 2 | ug/ml | PubChem BioAssay data set |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MBC | = | 4 | ug/ml | PubChem BioAssay data set |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | = | 1 | ug/ml | PubChem BioAssay data set |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MBC | = | 2 | ug/ml | PubChem BioAssay data set |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | < | 0.5 | ug/ml | PubChem BioAssay data set |
NPT1118 | Organism | Streptococcus pneumoniae | Streptococcus pneumoniae | MBC | = | 1 | ug/ml | PubChem BioAssay data set |
NPT1228 | Organism | Streptococcus pyogenes | Streptococcus pyogenes | MBC | > | 32 | ug/ml | 19128055 |
NPT1228 | Organism | Streptococcus pyogenes | Streptococcus pyogenes | MIC | = | 2 | ug/ml | 19128055 |
NPT2 | Others | Unspecified | GI50 | = | 0.82 | nM | 10.6019/CHEMBL1201861 | |
NPT2 | Others | Unspecified | GI50 | = | 0.75 | nM | 19253982 | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 1.3 | nM | 16792411 |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | = | 0.39 | nM | 21036050 |
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 NPC141325 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 |
---|---|---|
0.9851 | High Similarity | NPC138435 |
0.9565 | High Similarity | NPC476324 |
0.9565 | High Similarity | NPC476130 |
0.9545 | High Similarity | NPC193280 |
0.9545 | High Similarity | NPC314273 |
0.9118 | High Similarity | NPC476291 |
0.8841 | High Similarity | NPC476285 |
0.8732 | High Similarity | NPC476248 |
0.831 | Intermediate Similarity | NPC478256 |
0.8108 | Intermediate Similarity | NPC472595 |
0.7895 | Intermediate Similarity | NPC472594 |
0.7867 | Intermediate Similarity | NPC86064 |
0.7805 | Intermediate Similarity | NPC477728 |
0.7733 | Intermediate Similarity | NPC43219 |
0.7625 | Intermediate Similarity | NPC246005 |
0.7317 | Intermediate Similarity | NPC477730 |
0.7284 | Intermediate Similarity | NPC314466 |
0.7229 | Intermediate Similarity | NPC95478 |
0.7229 | Intermediate Similarity | NPC155670 |
0.7229 | Intermediate Similarity | NPC145748 |
0.72 | Intermediate Similarity | NPC474298 |
0.72 | Intermediate Similarity | NPC473985 |
0.72 | Intermediate Similarity | NPC474299 |
0.72 | Intermediate Similarity | NPC472579 |
0.72 | Intermediate Similarity | NPC475808 |
0.72 | Intermediate Similarity | NPC28348 |
0.7143 | Intermediate Similarity | NPC227051 |
0.7143 | Intermediate Similarity | NPC474403 |
0.7126 | Intermediate Similarity | NPC477729 |
0.6829 | Remote Similarity | NPC315131 |
0.6829 | Remote Similarity | NPC315535 |
0.6829 | Remote Similarity | NPC478017 |
0.6778 | Remote Similarity | NPC208537 |
0.6778 | Remote Similarity | NPC270005 |
0.6761 | Remote Similarity | NPC472578 |
0.6707 | Remote Similarity | NPC316242 |
0.6667 | Remote Similarity | NPC316826 |
0.6667 | Remote Similarity | NPC473599 |
0.6667 | Remote Similarity | NPC317143 |
0.6627 | Remote Similarity | NPC473984 |
0.662 | Remote Similarity | NPC318260 |
0.6575 | Remote Similarity | NPC471129 |
0.6575 | Remote Similarity | NPC327170 |
0.6575 | Remote Similarity | NPC329564 |
0.6533 | Remote Similarity | NPC145658 |
0.6486 | Remote Similarity | NPC477644 |
0.6438 | Remote Similarity | NPC327748 |
0.6438 | Remote Similarity | NPC321468 |
0.6429 | Remote Similarity | NPC316889 |
0.6429 | Remote Similarity | NPC321118 |
0.642 | Remote Similarity | NPC178919 |
0.6413 | Remote Similarity | NPC471098 |
0.6413 | Remote Similarity | NPC173763 |
0.6413 | Remote Similarity | NPC62263 |
0.641 | Remote Similarity | NPC470110 |
0.6389 | Remote Similarity | NPC317147 |
0.6377 | Remote Similarity | NPC322946 |
0.6374 | Remote Similarity | NPC475801 |
0.6374 | Remote Similarity | NPC474593 |
0.6354 | Remote Similarity | NPC220234 |
0.6324 | Remote Similarity | NPC80350 |
0.6304 | Remote Similarity | NPC474576 |
0.6301 | Remote Similarity | NPC328447 |
0.6296 | Remote Similarity | NPC477641 |
0.6296 | Remote Similarity | NPC320865 |
0.6296 | Remote Similarity | NPC477643 |
0.6282 | Remote Similarity | NPC470109 |
0.6277 | Remote Similarity | NPC470283 |
0.625 | Remote Similarity | NPC477642 |
0.622 | Remote Similarity | NPC263281 |
0.6207 | Remote Similarity | NPC84128 |
0.6207 | Remote Similarity | NPC53858 |
0.6203 | Remote Similarity | NPC195165 |
0.619 | Remote Similarity | NPC63191 |
0.619 | Remote Similarity | NPC471202 |
0.618 | Remote Similarity | NPC476523 |
0.6173 | Remote Similarity | NPC477200 |
0.6162 | Remote Similarity | NPC5864 |
0.6162 | Remote Similarity | NPC301148 |
0.6162 | Remote Similarity | NPC124554 |
0.6154 | Remote Similarity | NPC470108 |
0.6154 | Remote Similarity | NPC474402 |
0.6136 | Remote Similarity | NPC474312 |
0.6132 | Remote Similarity | NPC472536 |
0.6132 | Remote Similarity | NPC103391 |
0.6129 | Remote Similarity | NPC477538 |
0.6125 | Remote Similarity | NPC212866 |
0.6125 | Remote Similarity | NPC29598 |
0.6118 | Remote Similarity | NPC477145 |
0.6118 | Remote Similarity | NPC473741 |
0.6087 | Remote Similarity | NPC328378 |
0.6055 | Remote Similarity | NPC477237 |
0.604 | Remote Similarity | NPC323720 |
0.604 | Remote Similarity | NPC124549 |
0.6026 | Remote Similarity | NPC41429 |
0.602 | Remote Similarity | NPC475440 |
0.6 | Remote Similarity | NPC10716 |
0.6 | Remote Similarity | NPC321536 |
0.598 | Remote Similarity | NPC475918 |
0.5977 | Remote Similarity | NPC476137 |
0.5977 | Remote Similarity | NPC476117 |
0.5977 | Remote Similarity | NPC476156 |
0.5977 | Remote Similarity | NPC476243 |
0.5974 | Remote Similarity | NPC145627 |
0.5974 | Remote Similarity | NPC327252 |
0.5955 | Remote Similarity | NPC47135 |
0.5946 | Remote Similarity | NPC477238 |
0.5941 | Remote Similarity | NPC198344 |
0.593 | Remote Similarity | NPC37681 |
0.5926 | Remote Similarity | NPC126779 |
0.5909 | Remote Similarity | NPC476302 |
0.589 | Remote Similarity | NPC322573 |
0.5889 | Remote Similarity | NPC320936 |
0.5882 | Remote Similarity | NPC74035 |
0.5865 | Remote Similarity | NPC67009 |
0.5865 | Remote Similarity | NPC171734 |
0.5862 | Remote Similarity | NPC31756 |
0.5859 | Remote Similarity | NPC475758 |
0.5851 | Remote Similarity | NPC39290 |
0.5851 | Remote Similarity | NPC159369 |
0.5842 | Remote Similarity | NPC471097 |
0.5842 | Remote Similarity | NPC475149 |
0.5825 | Remote Similarity | NPC475637 |
0.5816 | Remote Similarity | NPC473597 |
0.5802 | Remote Similarity | NPC306696 |
0.58 | Remote Similarity | NPC475791 |
0.58 | Remote Similarity | NPC13175 |
0.5789 | Remote Similarity | NPC254541 |
0.5789 | Remote Similarity | NPC476019 |
0.5789 | Remote Similarity | NPC320598 |
0.5775 | Remote Similarity | NPC319110 |
0.5775 | Remote Similarity | NPC329181 |
0.5747 | Remote Similarity | NPC191774 |
0.5745 | Remote Similarity | NPC470284 |
0.5732 | Remote Similarity | NPC474812 |
0.5714 | Remote Similarity | NPC315897 |
0.5714 | Remote Similarity | NPC237420 |
0.5714 | Remote Similarity | NPC143722 |
0.5682 | Remote Similarity | NPC474833 |
0.5658 | Remote Similarity | NPC190385 |
0.5658 | Remote Similarity | NPC176164 |
0.5658 | Remote Similarity | NPC189301 |
0.5641 | Remote Similarity | NPC476125 |
0.5641 | Remote Similarity | NPC476179 |
0.5625 | Remote Similarity | NPC128559 |
0.5618 | Remote Similarity | NPC474702 |
0.5616 | Remote Similarity | NPC189178 |
0.5616 | Remote Similarity | NPC137327 |
0.5616 | Remote Similarity | NPC263065 |
0.56 | Remote Similarity | NPC325985 |
0.56 | Remote Similarity | NPC38463 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC141325 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 |
---|---|---|---|
0.7436 | Intermediate Similarity | NPD2689 | Clinical (unspecified phase) |
0.7432 | Intermediate Similarity | NPD3724 | Clinical (unspecified phase) |
0.7342 | Intermediate Similarity | NPD3160 | Suspended |
0.7308 | Intermediate Similarity | NPD1453 | Phase 1 |
0.6933 | Remote Similarity | NPD2263 | Discontinued |
0.6829 | Remote Similarity | NPD7917 | Clinical (unspecified phase) |
0.6829 | Remote Similarity | NPD7918 | Clinical (unspecified phase) |
0.663 | Remote Similarity | NPD8394 | Approved |
0.6556 | Remote Similarity | NPD3716 | Discontinued |
0.6429 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.6377 | Remote Similarity | NPD9441 | Phase 2 |
0.6316 | Remote Similarity | NPD6428 | Approved |
0.6301 | Remote Similarity | NPD9661 | Approved |
0.6296 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD1831 | Phase 3 |
0.6211 | Remote Similarity | NPD7844 | Discontinued |
0.6207 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.6125 | Remote Similarity | NPD7840 | Approved |
0.61 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD3187 | Discontinued |
0.6067 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD574 | Approved |
0.5978 | Remote Similarity | NPD4759 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD575 | Clinical (unspecified phase) |
0.5957 | Remote Similarity | NPD6095 | Approved |
0.5957 | Remote Similarity | NPD6094 | Approved |
0.5955 | Remote Similarity | NPD7345 | Approved |
0.5955 | Remote Similarity | NPD7643 | Phase 1 |
0.5926 | Remote Similarity | NPD1815 | Discontinued |
0.5926 | Remote Similarity | NPD4242 | Approved |
0.5905 | Remote Similarity | NPD6421 | Discontinued |
0.5904 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD364 | Discontinued |
0.589 | Remote Similarity | NPD4276 | Approved |
0.589 | Remote Similarity | NPD4277 | Approved |
0.5875 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.5867 | Remote Similarity | NPD9433 | Approved |
0.5802 | Remote Similarity | NPD4241 | Registered |
0.5769 | Remote Similarity | NPD5375 | Phase 3 |
0.5761 | Remote Similarity | NPD7760 | Phase 2 |
0.5761 | Remote Similarity | NPD7759 | Phase 2 |
0.5747 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD1151 | Approved |
0.5679 | Remote Similarity | NPD5380 | Approved |
0.566 | Remote Similarity | NPD8305 | Approved |
0.566 | Remote Similarity | NPD8306 | Approved |
0.5658 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD3192 | Approved |
0.5641 | Remote Similarity | NPD3193 | Approved |
0.5616 | Remote Similarity | NPD9204 | Approved |
0.5616 | Remote Similarity | NPD9205 | Approved |
0.5604 | Remote Similarity | NPD4829 | Discontinued |
0.56 | Remote Similarity | NPD8038 | Phase 2 |
PubChem CID   | 45272223 |
ChEMBL   | CHEMBL2304273 |
ZINC   |
Molecular Weight:   | 1152.68 |
ALogP:   | 0.36 |
MLogP:   | 5.09 |
XLogP:   | 8.244 |
# Rotatable Bonds:   | 39 |
Polar Surface Area:   | 353.34 |
# H-Bond Aceptor:   | 24 |
# H-Bond Donor:   | 6 |
# Rings:   | 1 |
# Heavy Atoms:   | 81 |