Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT659 | Cell Line | SMMC-7721 | Homo sapiens | IC50 | > | 40000 | nM | 23691978 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 40000 | nM | 9213587 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 40000 | nM | 22391032 |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 40000 | nM | DrugMatrix in vitro pharmacology data |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 40000 | nM | 23398362 |
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 NPC470534 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 |
---|---|---|
0.9519 | High Similarity | NPC470532 |
0.9519 | High Similarity | NPC470530 |
0.9519 | High Similarity | NPC470528 |
0.9519 | High Similarity | NPC470533 |
0.9519 | High Similarity | NPC470529 |
0.9519 | High Similarity | NPC470531 |
0.9519 | High Similarity | NPC470527 |
0.8704 | High Similarity | NPC470536 |
0.8611 | High Similarity | NPC470535 |
0.8056 | Intermediate Similarity | NPC474348 |
0.7949 | Intermediate Similarity | NPC471109 |
0.7797 | Intermediate Similarity | NPC476952 |
0.7667 | Intermediate Similarity | NPC88190 |
0.7581 | Intermediate Similarity | NPC280903 |
0.744 | Intermediate Similarity | NPC470537 |
0.7333 | Intermediate Similarity | NPC470538 |
0.7302 | Intermediate Similarity | NPC476951 |
0.7188 | Intermediate Similarity | NPC470539 |
0.6917 | Remote Similarity | NPC473232 |
0.68 | Remote Similarity | NPC96731 |
0.6694 | Remote Similarity | NPC470540 |
0.6639 | Remote Similarity | NPC475239 |
0.656 | Remote Similarity | NPC135431 |
0.6508 | Remote Similarity | NPC209252 |
0.6455 | Remote Similarity | NPC142649 |
0.6455 | Remote Similarity | NPC473038 |
0.6441 | Remote Similarity | NPC307954 |
0.6429 | Remote Similarity | NPC203170 |
0.6417 | Remote Similarity | NPC265094 |
0.641 | Remote Similarity | NPC121339 |
0.641 | Remote Similarity | NPC476344 |
0.6393 | Remote Similarity | NPC473037 |
0.6379 | Remote Similarity | NPC150041 |
0.637 | Remote Similarity | NPC478139 |
0.6357 | Remote Similarity | NPC35037 |
0.6343 | Remote Similarity | NPC476957 |
0.6333 | Remote Similarity | NPC281702 |
0.6325 | Remote Similarity | NPC3772 |
0.6325 | Remote Similarity | NPC7124 |
0.6325 | Remote Similarity | NPC125622 |
0.6324 | Remote Similarity | NPC139585 |
0.6316 | Remote Similarity | NPC219495 |
0.6303 | Remote Similarity | NPC299971 |
0.6303 | Remote Similarity | NPC144660 |
0.6293 | Remote Similarity | NPC184870 |
0.6293 | Remote Similarity | NPC124207 |
0.6293 | Remote Similarity | NPC90453 |
0.6279 | Remote Similarity | NPC476956 |
0.6273 | Remote Similarity | NPC271784 |
0.6271 | Remote Similarity | NPC122294 |
0.6271 | Remote Similarity | NPC106557 |
0.626 | Remote Similarity | NPC176773 |
0.626 | Remote Similarity | NPC238323 |
0.625 | Remote Similarity | NPC6247 |
0.625 | Remote Similarity | NPC124211 |
0.624 | Remote Similarity | NPC272898 |
0.624 | Remote Similarity | NPC63511 |
0.624 | Remote Similarity | NPC473036 |
0.6239 | Remote Similarity | NPC37408 |
0.6239 | Remote Similarity | NPC37646 |
0.6239 | Remote Similarity | NPC241156 |
0.6239 | Remote Similarity | NPC255809 |
0.623 | Remote Similarity | NPC119329 |
0.623 | Remote Similarity | NPC212874 |
0.623 | Remote Similarity | NPC255309 |
0.6228 | Remote Similarity | NPC473039 |
0.6222 | Remote Similarity | NPC173173 |
0.6218 | Remote Similarity | NPC16021 |
0.6216 | Remote Similarity | NPC209882 |
0.6214 | Remote Similarity | NPC45813 |
0.621 | Remote Similarity | NPC19412 |
0.6202 | Remote Similarity | NPC65045 |
0.6198 | Remote Similarity | NPC53222 |
0.6195 | Remote Similarity | NPC167877 |
0.6186 | Remote Similarity | NPC58052 |
0.6186 | Remote Similarity | NPC40765 |
0.6186 | Remote Similarity | NPC42042 |
0.6186 | Remote Similarity | NPC111684 |
0.6186 | Remote Similarity | NPC243525 |
0.6183 | Remote Similarity | NPC11379 |
0.6179 | Remote Similarity | NPC195841 |
0.6179 | Remote Similarity | NPC96377 |
0.6179 | Remote Similarity | NPC233256 |
0.6179 | Remote Similarity | NPC190867 |
0.6174 | Remote Similarity | NPC289213 |
0.6174 | Remote Similarity | NPC477147 |
0.6174 | Remote Similarity | NPC477149 |
0.6172 | Remote Similarity | NPC471398 |
0.6172 | Remote Similarity | NPC145501 |
0.6167 | Remote Similarity | NPC88198 |
0.6167 | Remote Similarity | NPC280963 |
0.6165 | Remote Similarity | NPC473477 |
0.6161 | Remote Similarity | NPC94531 |
0.6161 | Remote Similarity | NPC311702 |
0.6161 | Remote Similarity | NPC245434 |
0.6161 | Remote Similarity | NPC123319 |
0.616 | Remote Similarity | NPC286174 |
0.616 | Remote Similarity | NPC473578 |
0.616 | Remote Similarity | NPC218602 |
0.616 | Remote Similarity | NPC77947 |
0.6154 | Remote Similarity | NPC96541 |
0.6154 | Remote Similarity | NPC13710 |
0.6148 | Remote Similarity | NPC70967 |
0.6148 | Remote Similarity | NPC317654 |
0.6148 | Remote Similarity | NPC251017 |
0.6148 | Remote Similarity | NPC33973 |
0.6148 | Remote Similarity | NPC96010 |
0.6147 | Remote Similarity | NPC279667 |
0.6142 | Remote Similarity | NPC469466 |
0.6142 | Remote Similarity | NPC60432 |
0.6142 | Remote Similarity | NPC261750 |
0.6142 | Remote Similarity | NPC1111 |
0.614 | Remote Similarity | NPC190718 |
0.6136 | Remote Similarity | NPC476504 |
0.6134 | Remote Similarity | NPC477949 |
0.6134 | Remote Similarity | NPC476253 |
0.6134 | Remote Similarity | NPC43747 |
0.6129 | Remote Similarity | NPC271562 |
0.6126 | Remote Similarity | NPC469561 |
0.6126 | Remote Similarity | NPC65350 |
0.6121 | Remote Similarity | NPC150383 |
0.6119 | Remote Similarity | NPC469999 |
0.6119 | Remote Similarity | NPC476503 |
0.6116 | Remote Similarity | NPC475099 |
0.6116 | Remote Similarity | NPC116139 |
0.6115 | Remote Similarity | NPC477072 |
0.6111 | Remote Similarity | NPC129689 |
0.6111 | Remote Similarity | NPC206595 |
0.6106 | Remote Similarity | NPC229717 |
0.6106 | Remote Similarity | NPC469676 |
0.6103 | Remote Similarity | NPC478136 |
0.6103 | Remote Similarity | NPC212106 |
0.6102 | Remote Similarity | NPC317586 |
0.6102 | Remote Similarity | NPC469873 |
0.6102 | Remote Similarity | NPC470016 |
0.6098 | Remote Similarity | NPC216245 |
0.6098 | Remote Similarity | NPC2436 |
0.6098 | Remote Similarity | NPC470251 |
0.6098 | Remote Similarity | NPC135854 |
0.6094 | Remote Similarity | NPC477963 |
0.6094 | Remote Similarity | NPC255017 |
0.6094 | Remote Similarity | NPC28224 |
0.6091 | Remote Similarity | NPC477372 |
0.6087 | Remote Similarity | NPC189393 |
0.6087 | Remote Similarity | NPC474570 |
0.6087 | Remote Similarity | NPC212664 |
0.6087 | Remote Similarity | NPC32922 |
0.6087 | Remote Similarity | NPC90814 |
0.6087 | Remote Similarity | NPC214387 |
0.6083 | Remote Similarity | NPC244411 |
0.6083 | Remote Similarity | NPC471610 |
0.608 | Remote Similarity | NPC469845 |
0.608 | Remote Similarity | NPC469844 |
0.6071 | Remote Similarity | NPC238197 |
0.6071 | Remote Similarity | NPC165287 |
0.6071 | Remote Similarity | NPC320801 |
0.6071 | Remote Similarity | NPC109512 |
0.6068 | Remote Similarity | NPC206810 |
0.6068 | Remote Similarity | NPC25750 |
0.6068 | Remote Similarity | NPC475061 |
0.6066 | Remote Similarity | NPC22388 |
0.6066 | Remote Similarity | NPC66110 |
0.6066 | Remote Similarity | NPC293753 |
0.6066 | Remote Similarity | NPC476769 |
0.6066 | Remote Similarity | NPC234892 |
0.6066 | Remote Similarity | NPC313569 |
0.6063 | Remote Similarity | NPC115303 |
0.6055 | Remote Similarity | NPC469620 |
0.6053 | Remote Similarity | NPC99909 |
0.6053 | Remote Similarity | NPC237540 |
0.605 | Remote Similarity | NPC472941 |
0.605 | Remote Similarity | NPC328371 |
0.605 | Remote Similarity | NPC456 |
0.6048 | Remote Similarity | NPC472935 |
0.6048 | Remote Similarity | NPC86906 |
0.6048 | Remote Similarity | NPC470309 |
0.6048 | Remote Similarity | NPC51452 |
0.6048 | Remote Similarity | NPC236644 |
0.6045 | Remote Similarity | NPC477989 |
0.6045 | Remote Similarity | NPC314629 |
0.6045 | Remote Similarity | NPC477990 |
0.6045 | Remote Similarity | NPC472768 |
0.6045 | Remote Similarity | NPC293550 |
0.6045 | Remote Similarity | NPC111162 |
0.6045 | Remote Similarity | NPC186339 |
0.6045 | Remote Similarity | NPC323168 |
0.6043 | Remote Similarity | NPC133089 |
0.6038 | Remote Similarity | NPC469643 |
0.6038 | Remote Similarity | NPC469641 |
0.6036 | Remote Similarity | NPC477269 |
0.6036 | Remote Similarity | NPC477271 |
0.6036 | Remote Similarity | NPC477270 |
0.6036 | Remote Similarity | NPC129080 |
0.6034 | Remote Similarity | NPC472866 |
0.6034 | Remote Similarity | NPC20388 |
0.6033 | Remote Similarity | NPC157787 |
0.6033 | Remote Similarity | NPC477521 |
0.6033 | Remote Similarity | NPC51370 |
0.6033 | Remote Similarity | NPC471041 |
0.6033 | Remote Similarity | NPC287833 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470534 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 |
---|---|---|---|
0.6846 | Remote Similarity | NPD8336 | Approved |
0.6846 | Remote Similarity | NPD8337 | Approved |
0.6667 | Remote Similarity | NPD7122 | Discontinued |
0.6642 | Remote Similarity | NPD6845 | Suspended |
0.6519 | Remote Similarity | NPD8338 | Approved |
0.6336 | Remote Similarity | NPD8080 | Discontinued |
0.6328 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6324 | Remote Similarity | NPD7260 | Phase 2 |
0.6311 | Remote Similarity | NPD7333 | Discontinued |
0.626 | Remote Similarity | NPD6909 | Approved |
0.626 | Remote Similarity | NPD6908 | Approved |
0.626 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6231 | Remote Similarity | NPD7519 | Approved |
0.6231 | Remote Similarity | NPD7518 | Approved |
0.6231 | Remote Similarity | NPD7517 | Approved |
0.6186 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6083 | Remote Similarity | NPD5696 | Approved |
0.6048 | Remote Similarity | NPD6920 | Discontinued |
0.6031 | Remote Similarity | NPD7641 | Discontinued |
0.6 | Remote Similarity | NPD5737 | Approved |
0.6 | Remote Similarity | NPD6083 | Phase 2 |
0.6 | Remote Similarity | NPD6672 | Approved |
0.6 | Remote Similarity | NPD6084 | Phase 2 |
0.6 | Remote Similarity | NPD8140 | Approved |
0.5966 | Remote Similarity | NPD5695 | Phase 3 |
0.5946 | Remote Similarity | NPD857 | Phase 3 |
0.5932 | Remote Similarity | NPD6399 | Phase 3 |
0.5873 | Remote Similarity | NPD6412 | Phase 2 |
0.5873 | Remote Similarity | NPD8307 | Discontinued |
0.5862 | Remote Similarity | NPD6903 | Approved |
0.5845 | Remote Similarity | NPD8415 | Approved |
0.5827 | Remote Similarity | NPD7320 | Approved |
0.5826 | Remote Similarity | NPD7146 | Approved |
0.5826 | Remote Similarity | NPD7521 | Approved |
0.5826 | Remote Similarity | NPD6409 | Approved |
0.5826 | Remote Similarity | NPD6684 | Approved |
0.5826 | Remote Similarity | NPD5330 | Approved |
0.5826 | Remote Similarity | NPD7334 | Approved |
0.5804 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD5739 | Approved |
0.5794 | Remote Similarity | NPD6675 | Approved |
0.5794 | Remote Similarity | NPD7128 | Approved |
0.5794 | Remote Similarity | NPD6402 | Approved |
0.5786 | Remote Similarity | NPD6914 | Discontinued |
0.5785 | Remote Similarity | NPD7614 | Phase 1 |
0.5769 | Remote Similarity | NPD6882 | Approved |
0.575 | Remote Similarity | NPD5282 | Discontinued |
0.5726 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5724 | Remote Similarity | NPD6333 | Approved |
0.5724 | Remote Similarity | NPD6334 | Approved |
0.5704 | Remote Similarity | NPD8449 | Approved |
0.5703 | Remote Similarity | NPD6881 | Approved |
0.5703 | Remote Similarity | NPD6686 | Approved |
0.5703 | Remote Similarity | NPD6899 | Approved |
0.5702 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD5362 | Discontinued |
0.5693 | Remote Similarity | NPD7604 | Phase 2 |
0.5693 | Remote Similarity | NPD7642 | Approved |
0.5691 | Remote Similarity | NPD7638 | Approved |
0.5688 | Remote Similarity | NPD2257 | Approved |
0.568 | Remote Similarity | NPD8084 | Approved |
0.568 | Remote Similarity | NPD8138 | Approved |
0.568 | Remote Similarity | NPD8083 | Approved |
0.568 | Remote Similarity | NPD8086 | Approved |
0.568 | Remote Similarity | NPD8139 | Approved |
0.568 | Remote Similarity | NPD8082 | Approved |
0.568 | Remote Similarity | NPD8085 | Approved |
0.5678 | Remote Similarity | NPD5328 | Approved |
0.5678 | Remote Similarity | NPD6904 | Approved |
0.5678 | Remote Similarity | NPD6080 | Approved |
0.5678 | Remote Similarity | NPD6673 | Approved |
0.5676 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5674 | Remote Similarity | NPD7751 | Phase 1 |
0.5669 | Remote Similarity | NPD6008 | Approved |
0.5667 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD8450 | Suspended |
0.5662 | Remote Similarity | NPD8266 | Approved |
0.5662 | Remote Similarity | NPD8267 | Approved |
0.5662 | Remote Similarity | NPD8268 | Approved |
0.5662 | Remote Similarity | NPD8269 | Approved |
0.5659 | Remote Similarity | NPD6373 | Approved |
0.5659 | Remote Similarity | NPD6372 | Approved |
0.5656 | Remote Similarity | NPD7732 | Phase 3 |
0.5652 | Remote Similarity | NPD8341 | Approved |
0.5652 | Remote Similarity | NPD7492 | Approved |
0.5652 | Remote Similarity | NPD8340 | Approved |
0.5652 | Remote Similarity | NPD8299 | Approved |
0.5652 | Remote Similarity | NPD8342 | Approved |
0.5649 | Remote Similarity | NPD6053 | Discontinued |
0.5645 | Remote Similarity | NPD7639 | Approved |
0.5645 | Remote Similarity | NPD7640 | Approved |
0.5635 | Remote Similarity | NPD8275 | Approved |
0.5635 | Remote Similarity | NPD8276 | Approved |
0.563 | Remote Similarity | NPD2132 | Phase 3 |
0.5625 | Remote Similarity | NPD5697 | Approved |
0.5625 | Remote Similarity | NPD5701 | Approved |
0.562 | Remote Similarity | NPD7748 | Approved |
0.5615 | Remote Similarity | NPD7102 | Approved |
0.5615 | Remote Similarity | NPD8087 | Discontinued |
0.5615 | Remote Similarity | NPD6371 | Approved |
0.5615 | Remote Similarity | NPD6420 | Discontinued |
0.5615 | Remote Similarity | NPD7290 | Approved |
0.5615 | Remote Similarity | NPD6883 | Approved |
0.5614 | Remote Similarity | NPD6435 | Approved |
0.5612 | Remote Similarity | NPD8273 | Phase 1 |
0.5612 | Remote Similarity | NPD8451 | Approved |
0.5612 | Remote Similarity | NPD7507 | Approved |
0.5612 | Remote Similarity | NPD6616 | Approved |
0.5608 | Remote Similarity | NPD8384 | Approved |
0.5606 | Remote Similarity | NPD1376 | Discontinued |
PubChem CID   | 70682264 |
ChEMBL   | CHEMBL2062992 |
ZINC   |
Molecular Weight:   | 417.25 |
ALogP:   | -0.8235 |
MLogP:   | 3.44 |
XLogP:   | 0.406 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 76.07 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 30 |