Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT5427 | Organism | Hanseniaspora uvarum | Hanseniaspora uvarum | MIC | = | 12.5 | ug/ml | 19746919 |
NPT772 | Organism | Pichia anomala | Wickerhamomyces anomalus | MIC | = | 3.13 | ug/ml | 19746919 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 6.25 | ug/ml | 19746919 |
NPT5425 | Organism | Pichia nakazawae | Pichia nakazawae | MIC | = | 3.13 | ug/ml | 19805565 |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | = | 3.13 | ug/ml | 19805565 |
NPT5426 | Organism | Debaryomyces hansenii | Debaryomyces hansenii | MIC | = | 6.25 | ug/ml | 19805565 |
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 NPC51172 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 | NPC49032 |
1.0 | High Similarity | NPC125324 |
0.99 | High Similarity | NPC151134 |
0.9802 | High Similarity | NPC470867 |
0.97 | High Similarity | NPC54619 |
0.9252 | High Similarity | NPC20979 |
0.9238 | High Similarity | NPC42171 |
0.9223 | High Similarity | NPC476513 |
0.9167 | High Similarity | NPC10366 |
0.9118 | High Similarity | NPC476361 |
0.9118 | High Similarity | NPC476360 |
0.9074 | High Similarity | NPC100048 |
0.9074 | High Similarity | NPC476690 |
0.9065 | High Similarity | NPC11548 |
0.9 | High Similarity | NPC108072 |
0.8981 | High Similarity | NPC477029 |
0.8981 | High Similarity | NPC477030 |
0.8972 | High Similarity | NPC469348 |
0.8972 | High Similarity | NPC469347 |
0.8962 | High Similarity | NPC476547 |
0.8952 | High Similarity | NPC95051 |
0.8952 | High Similarity | NPC249265 |
0.8952 | High Similarity | NPC477809 |
0.8952 | High Similarity | NPC46190 |
0.8952 | High Similarity | NPC22779 |
0.8952 | High Similarity | NPC6806 |
0.8952 | High Similarity | NPC248746 |
0.8952 | High Similarity | NPC224098 |
0.8952 | High Similarity | NPC194207 |
0.8952 | High Similarity | NPC300557 |
0.8952 | High Similarity | NPC150372 |
0.8952 | High Similarity | NPC218571 |
0.8952 | High Similarity | NPC208383 |
0.8952 | High Similarity | NPC232054 |
0.8952 | High Similarity | NPC84956 |
0.8952 | High Similarity | NPC73243 |
0.8952 | High Similarity | NPC475550 |
0.8952 | High Similarity | NPC309278 |
0.8952 | High Similarity | NPC475333 |
0.8952 | High Similarity | NPC470433 |
0.8952 | High Similarity | NPC171073 |
0.8952 | High Similarity | NPC102016 |
0.8952 | High Similarity | NPC244086 |
0.8889 | High Similarity | NPC107188 |
0.8889 | High Similarity | NPC473610 |
0.8889 | High Similarity | NPC6295 |
0.8889 | High Similarity | NPC473727 |
0.8889 | High Similarity | NPC211354 |
0.8889 | High Similarity | NPC206003 |
0.8889 | High Similarity | NPC19400 |
0.8889 | High Similarity | NPC107962 |
0.8889 | High Similarity | NPC475351 |
0.8879 | High Similarity | NPC263359 |
0.8879 | High Similarity | NPC210569 |
0.8879 | High Similarity | NPC244431 |
0.8879 | High Similarity | NPC31896 |
0.8879 | High Similarity | NPC112274 |
0.8879 | High Similarity | NPC32361 |
0.8868 | High Similarity | NPC224314 |
0.8868 | High Similarity | NPC23808 |
0.8868 | High Similarity | NPC269297 |
0.8868 | High Similarity | NPC477811 |
0.8868 | High Similarity | NPC87998 |
0.8868 | High Similarity | NPC222202 |
0.8857 | High Similarity | NPC98696 |
0.8857 | High Similarity | NPC220427 |
0.88 | High Similarity | NPC287483 |
0.88 | High Similarity | NPC470865 |
0.88 | High Similarity | NPC30856 |
0.88 | High Similarity | NPC132080 |
0.88 | High Similarity | NPC232037 |
0.88 | High Similarity | NPC116756 |
0.88 | High Similarity | NPC284104 |
0.88 | High Similarity | NPC160426 |
0.88 | High Similarity | NPC98018 |
0.88 | High Similarity | NPC97700 |
0.88 | High Similarity | NPC475643 |
0.88 | High Similarity | NPC84111 |
0.88 | High Similarity | NPC184617 |
0.88 | High Similarity | NPC470866 |
0.88 | High Similarity | NPC473601 |
0.88 | High Similarity | NPC470863 |
0.88 | High Similarity | NPC195297 |
0.88 | High Similarity | NPC128572 |
0.88 | High Similarity | NPC103616 |
0.88 | High Similarity | NPC475625 |
0.88 | High Similarity | NPC470864 |
0.8796 | High Similarity | NPC79900 |
0.8796 | High Similarity | NPC476693 |
0.8796 | High Similarity | NPC51154 |
0.8788 | High Similarity | NPC264101 |
0.8788 | High Similarity | NPC471464 |
0.8788 | High Similarity | NPC217205 |
0.8788 | High Similarity | NPC291203 |
0.8785 | High Similarity | NPC124677 |
0.8785 | High Similarity | NPC13190 |
0.8785 | High Similarity | NPC477028 |
0.8785 | High Similarity | NPC475247 |
0.8785 | High Similarity | NPC294129 |
0.8785 | High Similarity | NPC477032 |
0.8785 | High Similarity | NPC13193 |
0.8774 | High Similarity | NPC157530 |
0.8774 | High Similarity | NPC14630 |
0.8774 | High Similarity | NPC250089 |
0.8762 | High Similarity | NPC94272 |
0.8762 | High Similarity | NPC113044 |
0.8762 | High Similarity | NPC63368 |
0.8762 | High Similarity | NPC283829 |
0.8762 | High Similarity | NPC14704 |
0.8762 | High Similarity | NPC14946 |
0.8762 | High Similarity | NPC208650 |
0.8762 | High Similarity | NPC470432 |
0.8762 | High Similarity | NPC305423 |
0.8762 | High Similarity | NPC230507 |
0.8762 | High Similarity | NPC161676 |
0.875 | High Similarity | NPC475521 |
0.8739 | High Similarity | NPC195560 |
0.8739 | High Similarity | NPC229962 |
0.8725 | High Similarity | NPC91497 |
0.8716 | High Similarity | NPC477810 |
0.8716 | High Similarity | NPC32707 |
0.8716 | High Similarity | NPC167183 |
0.8713 | High Similarity | NPC470861 |
0.8713 | High Similarity | NPC274200 |
0.8713 | High Similarity | NPC115165 |
0.8713 | High Similarity | NPC307534 |
0.8713 | High Similarity | NPC83137 |
0.8713 | High Similarity | NPC470862 |
0.8713 | High Similarity | NPC232611 |
0.8713 | High Similarity | NPC303069 |
0.8713 | High Similarity | NPC476112 |
0.8713 | High Similarity | NPC76486 |
0.8713 | High Similarity | NPC51520 |
0.8692 | High Similarity | NPC141433 |
0.8692 | High Similarity | NPC247037 |
0.8687 | High Similarity | NPC477451 |
0.8687 | High Similarity | NPC250393 |
0.8687 | High Similarity | NPC141769 |
0.8687 | High Similarity | NPC249204 |
0.8687 | High Similarity | NPC325828 |
0.8687 | High Similarity | NPC477547 |
0.8687 | High Similarity | NPC177834 |
0.8687 | High Similarity | NPC48339 |
0.8687 | High Similarity | NPC297348 |
0.8687 | High Similarity | NPC234352 |
0.8679 | High Similarity | NPC159005 |
0.8679 | High Similarity | NPC128123 |
0.8679 | High Similarity | NPC6931 |
0.8679 | High Similarity | NPC475634 |
0.8679 | High Similarity | NPC180183 |
0.8679 | High Similarity | NPC246124 |
0.8673 | High Similarity | NPC74259 |
0.8673 | High Similarity | NPC474423 |
0.8667 | High Similarity | NPC69737 |
0.8667 | High Similarity | NPC160816 |
0.8667 | High Similarity | NPC127801 |
0.8667 | High Similarity | NPC208477 |
0.8667 | High Similarity | NPC208594 |
0.8667 | High Similarity | NPC194842 |
0.8667 | High Similarity | NPC152584 |
0.8667 | High Similarity | NPC181845 |
0.8667 | High Similarity | NPC269627 |
0.8661 | High Similarity | NPC233391 |
0.8661 | High Similarity | NPC50689 |
0.8661 | High Similarity | NPC207243 |
0.8661 | High Similarity | NPC198325 |
0.8641 | High Similarity | NPC31346 |
0.8636 | High Similarity | NPC148965 |
0.8627 | High Similarity | NPC291548 |
0.8627 | High Similarity | NPC473518 |
0.8624 | High Similarity | NPC476546 |
0.8624 | High Similarity | NPC307642 |
0.8614 | High Similarity | NPC139271 |
0.8614 | High Similarity | NPC472989 |
0.8614 | High Similarity | NPC121453 |
0.8614 | High Similarity | NPC304011 |
0.8611 | High Similarity | NPC92710 |
0.8611 | High Similarity | NPC197231 |
0.86 | High Similarity | NPC473851 |
0.86 | High Similarity | NPC291547 |
0.86 | High Similarity | NPC131693 |
0.86 | High Similarity | NPC253268 |
0.86 | High Similarity | NPC174024 |
0.86 | High Similarity | NPC222731 |
0.86 | High Similarity | NPC179859 |
0.86 | High Similarity | NPC312678 |
0.86 | High Similarity | NPC475436 |
0.86 | High Similarity | NPC294686 |
0.8598 | High Similarity | NPC42482 |
0.8598 | High Similarity | NPC477026 |
0.8598 | High Similarity | NPC474573 |
0.8598 | High Similarity | NPC477027 |
0.8598 | High Similarity | NPC70204 |
0.8598 | High Similarity | NPC306131 |
0.8598 | High Similarity | NPC475670 |
0.8598 | High Similarity | NPC40440 |
0.8596 | High Similarity | NPC308262 |
0.8596 | High Similarity | NPC208193 |
0.8596 | High Similarity | NPC117445 |
0.8585 | High Similarity | NPC473469 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC51172 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 |
---|---|---|---|
0.8687 | High Similarity | NPD8171 | Discontinued |
0.8624 | High Similarity | NPD8133 | Approved |
0.8496 | Intermediate Similarity | NPD8377 | Approved |
0.8496 | Intermediate Similarity | NPD8294 | Approved |
0.8421 | Intermediate Similarity | NPD8378 | Approved |
0.8421 | Intermediate Similarity | NPD8296 | Approved |
0.8421 | Intermediate Similarity | NPD8335 | Approved |
0.8421 | Intermediate Similarity | NPD8380 | Approved |
0.8421 | Intermediate Similarity | NPD8379 | Approved |
0.8261 | Intermediate Similarity | NPD8033 | Approved |
0.8 | Intermediate Similarity | NPD7327 | Approved |
0.8 | Intermediate Similarity | NPD7328 | Approved |
0.7931 | Intermediate Similarity | NPD7516 | Approved |
0.789 | Intermediate Similarity | NPD8170 | Clinical (unspecified phase) |
0.7541 | Intermediate Similarity | NPD7507 | Approved |
0.75 | Intermediate Similarity | NPD7503 | Approved |
0.7475 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7402 | Intermediate Similarity | NPD8450 | Suspended |
0.736 | Intermediate Similarity | NPD7319 | Approved |
0.7323 | Intermediate Similarity | NPD8449 | Approved |
0.7281 | Intermediate Similarity | NPD6412 | Phase 2 |
0.6923 | Remote Similarity | NPD6686 | Approved |
0.6875 | Remote Similarity | NPD7736 | Approved |
0.6864 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6825 | Remote Similarity | NPD8328 | Phase 3 |
0.6748 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6746 | Remote Similarity | NPD6370 | Approved |
0.6696 | Remote Similarity | NPD7991 | Discontinued |
0.6667 | Remote Similarity | NPD8293 | Discontinued |
0.6667 | Remote Similarity | NPD8517 | Approved |
0.6667 | Remote Similarity | NPD7638 | Approved |
0.6667 | Remote Similarity | NPD8516 | Approved |
0.6667 | Remote Similarity | NPD8515 | Approved |
0.6643 | Remote Similarity | NPD7625 | Phase 1 |
0.6609 | Remote Similarity | NPD7640 | Approved |
0.6609 | Remote Similarity | NPD7639 | Approved |
0.6587 | Remote Similarity | NPD6059 | Approved |
0.6587 | Remote Similarity | NPD6054 | Approved |
0.6535 | Remote Similarity | NPD8513 | Phase 3 |
0.6476 | Remote Similarity | NPD7525 | Registered |
0.6475 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6434 | Remote Similarity | NPD6067 | Discontinued |
0.6429 | Remote Similarity | NPD8035 | Phase 2 |
0.6429 | Remote Similarity | NPD8034 | Phase 2 |
0.6406 | Remote Similarity | NPD6016 | Approved |
0.6406 | Remote Similarity | NPD6015 | Approved |
0.6385 | Remote Similarity | NPD7492 | Approved |
0.6364 | Remote Similarity | NPD7524 | Approved |
0.6357 | Remote Similarity | NPD5988 | Approved |
0.6336 | Remote Similarity | NPD6616 | Approved |
0.6288 | Remote Similarity | NPD7078 | Approved |
0.6239 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6226 | Remote Similarity | NPD7645 | Phase 2 |
0.6218 | Remote Similarity | NPD7632 | Discontinued |
0.6182 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.616 | Remote Similarity | NPD8297 | Approved |
0.616 | Remote Similarity | NPD6882 | Approved |
0.6147 | Remote Similarity | NPD6695 | Phase 3 |
0.6139 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6119 | Remote Similarity | NPD6033 | Approved |
0.6098 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6095 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6094 | Remote Similarity | NPD6009 | Approved |
0.6077 | Remote Similarity | NPD6319 | Approved |
0.6071 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD7750 | Discontinued |
0.6058 | Remote Similarity | NPD1811 | Approved |
0.6058 | Remote Similarity | NPD1810 | Approved |
0.6016 | Remote Similarity | NPD6940 | Discontinued |
0.6 | Remote Similarity | NPD6942 | Approved |
0.6 | Remote Similarity | NPD7339 | Approved |
0.6 | Remote Similarity | NPD4159 | Approved |
0.5984 | Remote Similarity | NPD4632 | Approved |
0.5969 | Remote Similarity | NPD7115 | Discovery |
0.5968 | Remote Similarity | NPD7320 | Approved |
0.5968 | Remote Similarity | NPD8174 | Phase 2 |
0.5966 | Remote Similarity | NPD4225 | Approved |
0.5965 | Remote Similarity | NPD6051 | Approved |
0.5935 | Remote Similarity | NPD6675 | Approved |
0.5935 | Remote Similarity | NPD7128 | Approved |
0.5935 | Remote Similarity | NPD6402 | Approved |
0.5935 | Remote Similarity | NPD5739 | Approved |
0.5926 | Remote Similarity | NPD6929 | Approved |
0.592 | Remote Similarity | NPD6373 | Approved |
0.592 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.592 | Remote Similarity | NPD6372 | Approved |
0.5872 | Remote Similarity | NPD6931 | Approved |
0.5872 | Remote Similarity | NPD6930 | Phase 2 |
0.5856 | Remote Similarity | NPD4788 | Approved |
0.584 | Remote Similarity | NPD6881 | Approved |
0.584 | Remote Similarity | NPD6899 | Approved |
0.5827 | Remote Similarity | NPD8130 | Phase 1 |
0.5827 | Remote Similarity | NPD6650 | Approved |
0.5827 | Remote Similarity | NPD6649 | Approved |
0.5812 | Remote Similarity | NPD6399 | Phase 3 |
0.5806 | Remote Similarity | NPD6008 | Approved |
0.5797 | Remote Similarity | NPD5956 | Approved |
0.5794 | Remote Similarity | NPD6933 | Approved |
0.5781 | Remote Similarity | NPD6053 | Discontinued |
0.5769 | Remote Similarity | NPD2687 | Approved |
0.5769 | Remote Similarity | NPD4787 | Phase 1 |
0.5769 | Remote Similarity | NPD2254 | Approved |
0.5769 | Remote Similarity | NPD2686 | Approved |
0.5763 | Remote Similarity | NPD7748 | Approved |
0.576 | Remote Similarity | NPD5697 | Approved |
0.576 | Remote Similarity | NPD5701 | Approved |
0.575 | Remote Similarity | NPD6083 | Phase 2 |
0.575 | Remote Similarity | NPD4755 | Approved |
0.575 | Remote Similarity | NPD6084 | Phase 2 |
0.575 | Remote Similarity | NPD7902 | Approved |
0.5748 | Remote Similarity | NPD7290 | Approved |
0.5748 | Remote Similarity | NPD4634 | Approved |
0.5748 | Remote Similarity | NPD7102 | Approved |
0.5748 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5748 | Remote Similarity | NPD6883 | Approved |
0.5741 | Remote Similarity | NPD6925 | Approved |
0.5741 | Remote Similarity | NPD5776 | Phase 2 |
0.5727 | Remote Similarity | NPD4748 | Discontinued |
0.5726 | Remote Similarity | NPD7087 | Discontinued |
0.5714 | Remote Similarity | NPD4243 | Approved |
0.5714 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD3669 | Approved |
0.5704 | Remote Similarity | NPD7604 | Phase 2 |
0.5703 | Remote Similarity | NPD6847 | Approved |
0.5703 | Remote Similarity | NPD6617 | Approved |
0.5703 | Remote Similarity | NPD6869 | Approved |
0.5702 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5693 | Remote Similarity | NPD8074 | Phase 3 |
0.5691 | Remote Similarity | NPD5211 | Phase 2 |
0.5688 | Remote Similarity | NPD6118 | Approved |
0.5688 | Remote Similarity | NPD7145 | Approved |
0.5688 | Remote Similarity | NPD6114 | Approved |
0.5688 | Remote Similarity | NPD6697 | Approved |
0.5688 | Remote Similarity | NPD6115 | Approved |
0.5678 | Remote Similarity | NPD4202 | Approved |
0.5672 | Remote Similarity | NPD8267 | Approved |
0.5672 | Remote Similarity | NPD8266 | Approved |
0.5672 | Remote Similarity | NPD8269 | Approved |
0.5672 | Remote Similarity | NPD6921 | Approved |
0.5672 | Remote Similarity | NPD8268 | Approved |
0.5672 | Remote Similarity | NPD5983 | Phase 2 |
0.5669 | Remote Similarity | NPD6012 | Approved |
0.5669 | Remote Similarity | NPD6013 | Approved |
0.5669 | Remote Similarity | NPD6014 | Approved |
0.5664 | Remote Similarity | NPD4786 | Approved |
0.5657 | Remote Similarity | NPD6123 | Approved |
0.5656 | Remote Similarity | NPD4700 | Approved |
0.5656 | Remote Similarity | NPD5286 | Approved |
0.5656 | Remote Similarity | NPD4696 | Approved |
0.5656 | Remote Similarity | NPD5285 | Approved |
0.5635 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.563 | Remote Similarity | NPD5125 | Phase 3 |
0.563 | Remote Similarity | NPD5126 | Approved |
0.562 | Remote Similarity | NPD6336 | Discontinued |
0.5619 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD6893 | Approved |
0.561 | Remote Similarity | NPD5344 | Discontinued |
0.561 | Remote Similarity | NPD7799 | Discontinued |
0.5607 | Remote Similarity | NPD6926 | Approved |
0.5607 | Remote Similarity | NPD4784 | Approved |
0.5607 | Remote Similarity | NPD6924 | Approved |
0.5607 | Remote Similarity | NPD4785 | Approved |
0.5603 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD5141 | Approved |
PubChem CID   | 10700835 |
ChEMBL   | CHEMBL507469 |
ZINC   |
Molecular Weight:   | 870.46 |
ALogP:   | -4.2039 |
MLogP:   | 4.43 |
XLogP:   | 2.65 |
# Rotatable Bonds:   | 20 |
Polar Surface Area:   | 255.91 |
# H-Bond Aceptor:   | 17 |
# H-Bond Donor:   | 9 |
# Rings:   | 9 |
# Heavy Atoms:   | 61 |