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 | PubChem BioAssay data set |
NPT176 | Organism | Artemia salina | Artemia salina | Activity | = | 40.98 | % | 316462 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 40000 | nM | PubChem BioAssay data set |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 40000 | nM | 18973387 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 40000 | nM | 2824776 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 40000 | nM | 10.1007/s00044-012-0408-0 |
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 NPC470527 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 | NPC470532 |
1.0 | High Similarity | NPC470530 |
1.0 | High Similarity | NPC470529 |
1.0 | High Similarity | NPC470531 |
1.0 | High Similarity | NPC470528 |
1.0 | High Similarity | NPC470533 |
0.9519 | High Similarity | NPC470534 |
0.8785 | High Similarity | NPC470536 |
0.8692 | High Similarity | NPC470535 |
0.8131 | Intermediate Similarity | NPC474348 |
0.7563 | Intermediate Similarity | NPC476952 |
0.7563 | Intermediate Similarity | NPC471109 |
0.7438 | Intermediate Similarity | NPC88190 |
0.7395 | Intermediate Similarity | NPC470538 |
0.736 | Intermediate Similarity | NPC280903 |
0.7222 | Intermediate Similarity | NPC470537 |
0.7087 | Intermediate Similarity | NPC476951 |
0.6977 | Remote Similarity | NPC470539 |
0.6613 | Remote Similarity | NPC135431 |
0.656 | Remote Similarity | NPC209252 |
0.6557 | Remote Similarity | NPC473232 |
0.6515 | Remote Similarity | NPC173173 |
0.6457 | Remote Similarity | NPC96731 |
0.6412 | Remote Similarity | NPC469999 |
0.6379 | Remote Similarity | NPC111684 |
0.6379 | Remote Similarity | NPC58052 |
0.6349 | Remote Similarity | NPC470540 |
0.633 | Remote Similarity | NPC271784 |
0.6325 | Remote Similarity | NPC187159 |
0.632 | Remote Similarity | NPC43648 |
0.6306 | Remote Similarity | NPC469676 |
0.629 | Remote Similarity | NPC63511 |
0.6283 | Remote Similarity | NPC473039 |
0.6281 | Remote Similarity | NPC475239 |
0.627 | Remote Similarity | NPC477963 |
0.6261 | Remote Similarity | NPC470576 |
0.626 | Remote Similarity | NPC61411 |
0.625 | Remote Similarity | NPC139585 |
0.6231 | Remote Similarity | NPC163693 |
0.6231 | Remote Similarity | NPC147635 |
0.623 | Remote Similarity | NPC195841 |
0.623 | Remote Similarity | NPC233256 |
0.6202 | Remote Similarity | NPC174463 |
0.6195 | Remote Similarity | NPC190718 |
0.6195 | Remote Similarity | NPC203170 |
0.6182 | Remote Similarity | NPC469561 |
0.6174 | Remote Similarity | NPC290651 |
0.6174 | Remote Similarity | NPC221282 |
0.6161 | Remote Similarity | NPC261253 |
0.6161 | Remote Similarity | NPC474045 |
0.6161 | Remote Similarity | NPC244174 |
0.6154 | Remote Similarity | NPC138534 |
0.6154 | Remote Similarity | NPC35037 |
0.6154 | Remote Similarity | NPC477986 |
0.6148 | Remote Similarity | NPC476957 |
0.6148 | Remote Similarity | NPC478136 |
0.6126 | Remote Similarity | NPC109512 |
0.6126 | Remote Similarity | NPC238197 |
0.6126 | Remote Similarity | NPC320801 |
0.6124 | Remote Similarity | NPC469997 |
0.6124 | Remote Similarity | NPC65045 |
0.6121 | Remote Similarity | NPC469998 |
0.6121 | Remote Similarity | NPC472226 |
0.6121 | Remote Similarity | NPC472225 |
0.6111 | Remote Similarity | NPC58281 |
0.6111 | Remote Similarity | NPC469620 |
0.6107 | Remote Similarity | NPC230849 |
0.6098 | Remote Similarity | NPC86906 |
0.6095 | Remote Similarity | NPC469641 |
0.6095 | Remote Similarity | NPC469643 |
0.6094 | Remote Similarity | NPC471398 |
0.6083 | Remote Similarity | NPC307954 |
0.608 | Remote Similarity | NPC473578 |
0.6077 | Remote Similarity | NPC13710 |
0.6071 | Remote Similarity | NPC473038 |
0.6071 | Remote Similarity | NPC142649 |
0.6068 | Remote Similarity | NPC128488 |
0.6068 | Remote Similarity | NPC56525 |
0.6068 | Remote Similarity | NPC304968 |
0.6068 | Remote Similarity | NPC41649 |
0.6068 | Remote Similarity | NPC90453 |
0.6066 | Remote Similarity | NPC97336 |
0.6066 | Remote Similarity | NPC265094 |
0.6063 | Remote Similarity | NPC471570 |
0.6063 | Remote Similarity | NPC261750 |
0.6063 | Remote Similarity | NPC1111 |
0.6063 | Remote Similarity | NPC60432 |
0.6058 | Remote Similarity | NPC478139 |
0.605 | Remote Similarity | NPC476344 |
0.605 | Remote Similarity | NPC121339 |
0.605 | Remote Similarity | NPC216904 |
0.605 | Remote Similarity | NPC47834 |
0.605 | Remote Similarity | NPC23680 |
0.6048 | Remote Similarity | NPC473037 |
0.6045 | Remote Similarity | NPC321197 |
0.6043 | Remote Similarity | NPC477072 |
0.6034 | Remote Similarity | NPC474631 |
0.6034 | Remote Similarity | NPC218301 |
0.6028 | Remote Similarity | NPC45813 |
0.6017 | Remote Similarity | NPC37408 |
0.6017 | Remote Similarity | NPC150041 |
0.6016 | Remote Similarity | NPC228669 |
0.6016 | Remote Similarity | NPC164835 |
0.6016 | Remote Similarity | NPC119329 |
0.6016 | Remote Similarity | NPC119493 |
0.6016 | Remote Similarity | NPC28224 |
0.6 | Remote Similarity | NPC271387 |
0.6 | Remote Similarity | NPC19412 |
0.6 | Remote Similarity | NPC275439 |
0.6 | Remote Similarity | NPC153792 |
0.6 | Remote Similarity | NPC255580 |
0.6 | Remote Similarity | NPC112753 |
0.6 | Remote Similarity | NPC39411 |
0.5984 | Remote Similarity | NPC471993 |
0.5984 | Remote Similarity | NPC313569 |
0.5984 | Remote Similarity | NPC281702 |
0.5984 | Remote Similarity | NPC476769 |
0.5982 | Remote Similarity | NPC100391 |
0.597 | Remote Similarity | NPC111162 |
0.597 | Remote Similarity | NPC186339 |
0.597 | Remote Similarity | NPC293550 |
0.597 | Remote Similarity | NPC473477 |
0.597 | Remote Similarity | NPC472768 |
0.597 | Remote Similarity | NPC323168 |
0.597 | Remote Similarity | NPC477990 |
0.597 | Remote Similarity | NPC477989 |
0.597 | Remote Similarity | NPC314629 |
0.5969 | Remote Similarity | NPC145501 |
0.5968 | Remote Similarity | NPC96377 |
0.5968 | Remote Similarity | NPC190867 |
0.5966 | Remote Similarity | NPC125622 |
0.5966 | Remote Similarity | NPC471843 |
0.5966 | Remote Similarity | NPC3772 |
0.5966 | Remote Similarity | NPC7124 |
0.5966 | Remote Similarity | NPC472674 |
0.5966 | Remote Similarity | NPC121036 |
0.5966 | Remote Similarity | NPC42042 |
0.5965 | Remote Similarity | NPC265580 |
0.5963 | Remote Similarity | NPC469608 |
0.5963 | Remote Similarity | NPC469690 |
0.5956 | Remote Similarity | NPC11732 |
0.5954 | Remote Similarity | NPC476956 |
0.5952 | Remote Similarity | NPC286174 |
0.5952 | Remote Similarity | NPC77947 |
0.5952 | Remote Similarity | NPC246205 |
0.5952 | Remote Similarity | NPC118225 |
0.595 | Remote Similarity | NPC144660 |
0.595 | Remote Similarity | NPC128698 |
0.595 | Remote Similarity | NPC299971 |
0.595 | Remote Similarity | NPC280963 |
0.595 | Remote Similarity | NPC239768 |
0.5948 | Remote Similarity | NPC219495 |
0.5946 | Remote Similarity | NPC327969 |
0.5946 | Remote Similarity | NPC321289 |
0.5944 | Remote Similarity | NPC180770 |
0.5944 | Remote Similarity | NPC302276 |
0.5942 | Remote Similarity | NPC307165 |
0.594 | Remote Similarity | NPC470000 |
0.594 | Remote Similarity | NPC238323 |
0.594 | Remote Similarity | NPC476504 |
0.594 | Remote Similarity | NPC473228 |
0.594 | Remote Similarity | NPC470829 |
0.5938 | Remote Similarity | NPC469865 |
0.5938 | Remote Similarity | NPC469466 |
0.5932 | Remote Similarity | NPC124207 |
0.5932 | Remote Similarity | NPC184870 |
0.5929 | Remote Similarity | NPC470223 |
0.5929 | Remote Similarity | NPC235792 |
0.5926 | Remote Similarity | NPC471087 |
0.5926 | Remote Similarity | NPC477985 |
0.5926 | Remote Similarity | NPC195785 |
0.5926 | Remote Similarity | NPC476503 |
0.5926 | Remote Similarity | NPC326386 |
0.5926 | Remote Similarity | NPC475932 |
0.5926 | Remote Similarity | NPC15975 |
0.5923 | Remote Similarity | NPC243981 |
0.5923 | Remote Similarity | NPC30196 |
0.592 | Remote Similarity | NPC176773 |
0.5917 | Remote Similarity | NPC122294 |
0.5917 | Remote Similarity | NPC106557 |
0.5917 | Remote Similarity | NPC292133 |
0.5913 | Remote Similarity | NPC80335 |
0.5912 | Remote Similarity | NPC212106 |
0.5906 | Remote Similarity | NPC129689 |
0.5906 | Remote Similarity | NPC473036 |
0.5906 | Remote Similarity | NPC163314 |
0.5906 | Remote Similarity | NPC272898 |
0.5906 | Remote Similarity | NPC206595 |
0.5902 | Remote Similarity | NPC475099 |
0.5902 | Remote Similarity | NPC124211 |
0.5902 | Remote Similarity | NPC116139 |
0.5902 | Remote Similarity | NPC476611 |
0.5899 | Remote Similarity | NPC90814 |
0.5899 | Remote Similarity | NPC189393 |
0.5893 | Remote Similarity | NPC108045 |
0.5893 | Remote Similarity | NPC475622 |
0.5887 | Remote Similarity | NPC476764 |
0.5887 | Remote Similarity | NPC255309 |
0.5887 | Remote Similarity | NPC223741 |
0.5887 | Remote Similarity | NPC87919 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470527 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 |
---|---|---|---|
0.7165 | Intermediate Similarity | NPD8337 | Approved |
0.7165 | Intermediate Similarity | NPD8336 | Approved |
0.6818 | Remote Similarity | NPD8338 | Approved |
0.6462 | Remote Similarity | NPD7122 | Discontinued |
0.6444 | Remote Similarity | NPD6845 | Suspended |
0.626 | Remote Similarity | NPD8080 | Discontinued |
0.625 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6239 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6183 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6131 | Remote Similarity | NPD7260 | Phase 2 |
0.6053 | Remote Similarity | NPD5737 | Approved |
0.6053 | Remote Similarity | NPD6672 | Approved |
0.5968 | Remote Similarity | NPD7333 | Discontinued |
0.5954 | Remote Similarity | NPD7641 | Discontinued |
0.594 | Remote Similarity | NPD6908 | Approved |
0.594 | Remote Similarity | NPD6909 | Approved |
0.592 | Remote Similarity | NPD8140 | Approved |
0.5913 | Remote Similarity | NPD6903 | Approved |
0.5909 | Remote Similarity | NPD7518 | Approved |
0.5909 | Remote Similarity | NPD7519 | Approved |
0.5909 | Remote Similarity | NPD7517 | Approved |
0.5877 | Remote Similarity | NPD7146 | Approved |
0.5877 | Remote Similarity | NPD6409 | Approved |
0.5877 | Remote Similarity | NPD7521 | Approved |
0.5877 | Remote Similarity | NPD6684 | Approved |
0.5877 | Remote Similarity | NPD5330 | Approved |
0.5877 | Remote Similarity | NPD7334 | Approved |
0.584 | Remote Similarity | NPD6008 | Approved |
0.5794 | Remote Similarity | NPD6412 | Phase 2 |
0.5794 | Remote Similarity | NPD8307 | Discontinued |
0.5776 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD5696 | Approved |
0.5726 | Remote Similarity | NPD6673 | Approved |
0.5726 | Remote Similarity | NPD6904 | Approved |
0.5726 | Remote Similarity | NPD6080 | Approved |
0.5714 | Remote Similarity | NPD6920 | Discontinued |
0.5714 | Remote Similarity | NPD6914 | Discontinued |
0.5702 | Remote Similarity | NPD7732 | Phase 3 |
0.5656 | Remote Similarity | NPD6084 | Phase 2 |
0.5656 | Remote Similarity | NPD6083 | Phase 2 |
0.5634 | Remote Similarity | NPD8449 | Approved |
0.563 | Remote Similarity | NPD6050 | Approved |
0.5625 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD6686 | Approved |
0.562 | Remote Similarity | NPD7642 | Approved |
0.562 | Remote Similarity | NPD5695 | Phase 3 |
0.56 | Remote Similarity | NPD8086 | Approved |
0.56 | Remote Similarity | NPD8083 | Approved |
0.56 | Remote Similarity | NPD8139 | Approved |
0.56 | Remote Similarity | NPD8138 | Approved |
0.56 | Remote Similarity | NPD8301 | Approved |
0.56 | Remote Similarity | NPD8300 | Approved |
0.56 | Remote Similarity | NPD8084 | Approved |
0.56 | Remote Similarity | NPD8085 | Approved |
0.56 | Remote Similarity | NPD8082 | Approved |
PubChem CID   | 70686504 |
ChEMBL   | CHEMBL2062985 |
ZINC   |
Molecular Weight:   | 431.27 |
ALogP:   | -0.9742 |
MLogP:   | 3.55 |
XLogP:   | 1.051 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 65.07 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 0 |
# Rings:   | 5 |
# Heavy Atoms:   | 31 |