Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 6500 | nM | 12350142 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 700 | nM | 16417306 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 6900 | nM | 18178085 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 14100 | nM | 10.1021/np50125a006 |
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 NPC472872 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 |
---|---|---|
0.9535 | High Similarity | NPC155215 |
0.9425 | High Similarity | NPC258216 |
0.9294 | High Similarity | NPC270270 |
0.9294 | High Similarity | NPC24728 |
0.9213 | High Similarity | NPC476053 |
0.9195 | High Similarity | NPC216284 |
0.9186 | High Similarity | NPC79549 |
0.9186 | High Similarity | NPC471149 |
0.9157 | High Similarity | NPC246076 |
0.908 | High Similarity | NPC283409 |
0.908 | High Similarity | NPC215556 |
0.9022 | High Similarity | NPC186861 |
0.9 | High Similarity | NPC472873 |
0.8989 | High Similarity | NPC472874 |
0.8966 | High Similarity | NPC224652 |
0.8953 | High Similarity | NPC304558 |
0.8913 | High Similarity | NPC45125 |
0.8876 | High Similarity | NPC35959 |
0.8876 | High Similarity | NPC171360 |
0.8876 | High Similarity | NPC293001 |
0.8876 | High Similarity | NPC29821 |
0.8876 | High Similarity | NPC63193 |
0.8876 | High Similarity | NPC133888 |
0.8876 | High Similarity | NPC57304 |
0.8864 | High Similarity | NPC4986 |
0.8837 | High Similarity | NPC284534 |
0.8837 | High Similarity | NPC300082 |
0.8837 | High Similarity | NPC204105 |
0.8817 | High Similarity | NPC471381 |
0.8791 | High Similarity | NPC163228 |
0.8764 | High Similarity | NPC297474 |
0.8764 | High Similarity | NPC54065 |
0.8764 | High Similarity | NPC35809 |
0.875 | High Similarity | NPC207114 |
0.875 | High Similarity | NPC217983 |
0.8736 | High Similarity | NPC64153 |
0.871 | High Similarity | NPC221615 |
0.8696 | High Similarity | NPC213078 |
0.8681 | High Similarity | NPC127019 |
0.8667 | High Similarity | NPC286341 |
0.8667 | High Similarity | NPC191339 |
0.8667 | High Similarity | NPC184063 |
0.8652 | High Similarity | NPC155935 |
0.8621 | High Similarity | NPC235792 |
0.8605 | High Similarity | NPC245665 |
0.8602 | High Similarity | NPC471150 |
0.8602 | High Similarity | NPC161493 |
0.8587 | High Similarity | NPC67584 |
0.8587 | High Similarity | NPC213698 |
0.8557 | High Similarity | NPC54737 |
0.8556 | High Similarity | NPC19087 |
0.8539 | High Similarity | NPC178875 |
0.8523 | High Similarity | NPC187661 |
0.8495 | Intermediate Similarity | NPC18019 |
0.8495 | Intermediate Similarity | NPC24956 |
0.8478 | Intermediate Similarity | NPC198853 |
0.8462 | Intermediate Similarity | NPC133698 |
0.8444 | Intermediate Similarity | NPC38392 |
0.8427 | Intermediate Similarity | NPC118601 |
0.8404 | Intermediate Similarity | NPC181151 |
0.8391 | Intermediate Similarity | NPC111409 |
0.8387 | Intermediate Similarity | NPC52044 |
0.8387 | Intermediate Similarity | NPC170120 |
0.837 | Intermediate Similarity | NPC473234 |
0.837 | Intermediate Similarity | NPC308656 |
0.837 | Intermediate Similarity | NPC473263 |
0.837 | Intermediate Similarity | NPC473273 |
0.837 | Intermediate Similarity | NPC60386 |
0.8367 | Intermediate Similarity | NPC44004 |
0.8315 | Intermediate Similarity | NPC470242 |
0.8315 | Intermediate Similarity | NPC56593 |
0.83 | Intermediate Similarity | NPC139838 |
0.83 | Intermediate Similarity | NPC59489 |
0.8298 | Intermediate Similarity | NPC91771 |
0.8298 | Intermediate Similarity | NPC142529 |
0.8295 | Intermediate Similarity | NPC224386 |
0.8295 | Intermediate Similarity | NPC194859 |
0.828 | Intermediate Similarity | NPC262133 |
0.828 | Intermediate Similarity | NPC470013 |
0.828 | Intermediate Similarity | NPC477131 |
0.828 | Intermediate Similarity | NPC470010 |
0.828 | Intermediate Similarity | NPC323008 |
0.8261 | Intermediate Similarity | NPC131209 |
0.8261 | Intermediate Similarity | NPC475925 |
0.8256 | Intermediate Similarity | NPC156658 |
0.8256 | Intermediate Similarity | NPC258965 |
0.8211 | Intermediate Similarity | NPC311904 |
0.8211 | Intermediate Similarity | NPC474313 |
0.8193 | Intermediate Similarity | NPC320537 |
0.8193 | Intermediate Similarity | NPC143979 |
0.8191 | Intermediate Similarity | NPC167893 |
0.8191 | Intermediate Similarity | NPC224689 |
0.8182 | Intermediate Similarity | NPC128246 |
0.8182 | Intermediate Similarity | NPC54468 |
0.8172 | Intermediate Similarity | NPC153590 |
0.8152 | Intermediate Similarity | NPC37607 |
0.8152 | Intermediate Similarity | NPC301969 |
0.8132 | Intermediate Similarity | NPC91248 |
0.8119 | Intermediate Similarity | NPC115352 |
0.8111 | Intermediate Similarity | NPC236692 |
0.8111 | Intermediate Similarity | NPC238593 |
0.8111 | Intermediate Similarity | NPC67493 |
0.8111 | Intermediate Similarity | NPC309757 |
0.8111 | Intermediate Similarity | NPC50637 |
0.809 | Intermediate Similarity | NPC470238 |
0.809 | Intermediate Similarity | NPC138647 |
0.8022 | Intermediate Similarity | NPC5130 |
0.8022 | Intermediate Similarity | NPC201658 |
0.8021 | Intermediate Similarity | NPC170143 |
0.8021 | Intermediate Similarity | NPC108475 |
0.8021 | Intermediate Similarity | NPC213947 |
0.8 | Intermediate Similarity | NPC223450 |
0.8 | Intermediate Similarity | NPC243998 |
0.7981 | Intermediate Similarity | NPC273242 |
0.7979 | Intermediate Similarity | NPC200237 |
0.7978 | Intermediate Similarity | NPC128429 |
0.7978 | Intermediate Similarity | NPC474472 |
0.7978 | Intermediate Similarity | NPC257358 |
0.7978 | Intermediate Similarity | NPC272814 |
0.7959 | Intermediate Similarity | NPC171759 |
0.7959 | Intermediate Similarity | NPC150923 |
0.7957 | Intermediate Similarity | NPC62815 |
0.7955 | Intermediate Similarity | NPC141810 |
0.7955 | Intermediate Similarity | NPC126248 |
0.7955 | Intermediate Similarity | NPC47635 |
0.7931 | Intermediate Similarity | NPC617 |
0.7912 | Intermediate Similarity | NPC162071 |
0.7907 | Intermediate Similarity | NPC208223 |
0.7905 | Intermediate Similarity | NPC121816 |
0.7895 | Intermediate Similarity | NPC473331 |
0.7889 | Intermediate Similarity | NPC156485 |
0.7849 | Intermediate Similarity | NPC166919 |
0.7849 | Intermediate Similarity | NPC151770 |
0.7843 | Intermediate Similarity | NPC68248 |
0.7841 | Intermediate Similarity | NPC276356 |
0.7841 | Intermediate Similarity | NPC73052 |
0.7841 | Intermediate Similarity | NPC6823 |
0.7841 | Intermediate Similarity | NPC290508 |
0.7841 | Intermediate Similarity | NPC293418 |
0.783 | Intermediate Similarity | NPC170692 |
0.783 | Intermediate Similarity | NPC255450 |
0.7826 | Intermediate Similarity | NPC475703 |
0.7826 | Intermediate Similarity | NPC231889 |
0.7826 | Intermediate Similarity | NPC190753 |
0.7812 | Intermediate Similarity | NPC304886 |
0.78 | Intermediate Similarity | NPC124881 |
0.7789 | Intermediate Similarity | NPC135776 |
0.7789 | Intermediate Similarity | NPC475788 |
0.7778 | Intermediate Similarity | NPC471767 |
0.7766 | Intermediate Similarity | NPC312042 |
0.7766 | Intermediate Similarity | NPC475748 |
0.7755 | Intermediate Similarity | NPC249171 |
0.7755 | Intermediate Similarity | NPC49833 |
0.7727 | Intermediate Similarity | NPC182550 |
0.7717 | Intermediate Similarity | NPC107787 |
0.7711 | Intermediate Similarity | NPC5714 |
0.7708 | Intermediate Similarity | NPC476267 |
0.7708 | Intermediate Similarity | NPC140543 |
0.7708 | Intermediate Similarity | NPC473316 |
0.7708 | Intermediate Similarity | NPC473330 |
0.77 | Intermediate Similarity | NPC250594 |
0.77 | Intermediate Similarity | NPC86077 |
0.7692 | Intermediate Similarity | NPC115786 |
0.7684 | Intermediate Similarity | NPC221282 |
0.7677 | Intermediate Similarity | NPC70865 |
0.766 | Intermediate Similarity | NPC168679 |
0.766 | Intermediate Similarity | NPC12872 |
0.7653 | Intermediate Similarity | NPC304445 |
0.7653 | Intermediate Similarity | NPC236580 |
0.764 | Intermediate Similarity | NPC474981 |
0.764 | Intermediate Similarity | NPC69271 |
0.764 | Intermediate Similarity | NPC74673 |
0.7634 | Intermediate Similarity | NPC186148 |
0.7629 | Intermediate Similarity | NPC475900 |
0.7624 | Intermediate Similarity | NPC473148 |
0.7609 | Intermediate Similarity | NPC149725 |
0.7609 | Intermediate Similarity | NPC78089 |
0.7609 | Intermediate Similarity | NPC47958 |
0.7609 | Intermediate Similarity | NPC304509 |
0.7604 | Intermediate Similarity | NPC475838 |
0.7604 | Intermediate Similarity | NPC212486 |
0.7604 | Intermediate Similarity | NPC125674 |
0.7604 | Intermediate Similarity | NPC228451 |
0.7579 | Intermediate Similarity | NPC206614 |
0.7579 | Intermediate Similarity | NPC474323 |
0.7579 | Intermediate Similarity | NPC469718 |
0.7579 | Intermediate Similarity | NPC329857 |
0.7573 | Intermediate Similarity | NPC26617 |
0.7556 | Intermediate Similarity | NPC25684 |
0.7556 | Intermediate Similarity | NPC281949 |
0.7556 | Intermediate Similarity | NPC301477 |
0.7553 | Intermediate Similarity | NPC177629 |
0.7553 | Intermediate Similarity | NPC58219 |
0.7551 | Intermediate Similarity | NPC476009 |
0.7551 | Intermediate Similarity | NPC126156 |
0.7527 | Intermediate Similarity | NPC474045 |
0.7527 | Intermediate Similarity | NPC261253 |
0.7527 | Intermediate Similarity | NPC469676 |
0.7526 | Intermediate Similarity | NPC474247 |
0.7526 | Intermediate Similarity | NPC281775 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC472872 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 |
---|---|---|---|
0.8864 | High Similarity | NPD1695 | Approved |
0.7573 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7419 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.7196 | Intermediate Similarity | NPD6371 | Approved |
0.7143 | Intermediate Similarity | NPD6008 | Approved |
0.7064 | Intermediate Similarity | NPD6053 | Discontinued |
0.6979 | Remote Similarity | NPD4249 | Approved |
0.6931 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6907 | Remote Similarity | NPD4250 | Approved |
0.6907 | Remote Similarity | NPD4251 | Approved |
0.6701 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.67 | Remote Similarity | NPD6698 | Approved |
0.67 | Remote Similarity | NPD46 | Approved |
0.6667 | Remote Similarity | NPD5362 | Discontinued |
0.6562 | Remote Similarity | NPD6435 | Approved |
0.6535 | Remote Similarity | NPD5785 | Approved |
0.6526 | Remote Similarity | NPD4822 | Approved |
0.6526 | Remote Similarity | NPD4819 | Approved |
0.6526 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6526 | Remote Similarity | NPD4821 | Approved |
0.6526 | Remote Similarity | NPD4820 | Approved |
0.6458 | Remote Similarity | NPD5369 | Approved |
0.6442 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.6373 | Remote Similarity | NPD7838 | Discovery |
0.6364 | Remote Similarity | NPD5363 | Approved |
0.6354 | Remote Similarity | NPD5368 | Approved |
0.6346 | Remote Similarity | NPD5282 | Discontinued |
0.6327 | Remote Similarity | NPD7154 | Phase 3 |
0.6316 | Remote Similarity | NPD4271 | Approved |
0.6316 | Remote Similarity | NPD4268 | Approved |
0.6311 | Remote Similarity | NPD5693 | Phase 1 |
0.6224 | Remote Similarity | NPD4269 | Approved |
0.6224 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6224 | Remote Similarity | NPD4270 | Approved |
0.6214 | Remote Similarity | NPD5207 | Approved |
0.62 | Remote Similarity | NPD1694 | Approved |
0.619 | Remote Similarity | NPD6001 | Approved |
0.6176 | Remote Similarity | NPD6903 | Approved |
0.6162 | Remote Similarity | NPD5331 | Approved |
0.6162 | Remote Similarity | NPD5332 | Approved |
0.6161 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6139 | Remote Similarity | NPD6684 | Approved |
0.6139 | Remote Similarity | NPD7521 | Approved |
0.6139 | Remote Similarity | NPD6409 | Approved |
0.6139 | Remote Similarity | NPD7334 | Approved |
0.6139 | Remote Similarity | NPD7146 | Approved |
0.6139 | Remote Similarity | NPD5786 | Approved |
0.6139 | Remote Similarity | NPD5330 | Approved |
0.6132 | Remote Similarity | NPD5695 | Phase 3 |
0.6122 | Remote Similarity | NPD4790 | Discontinued |
0.6111 | Remote Similarity | NPD7638 | Approved |
0.6111 | Remote Similarity | NPD5696 | Approved |
0.6102 | Remote Similarity | NPD7115 | Discovery |
0.6095 | Remote Similarity | NPD6399 | Phase 3 |
0.6067 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD5209 | Approved |
0.6055 | Remote Similarity | NPD7639 | Approved |
0.6055 | Remote Similarity | NPD6648 | Approved |
0.6055 | Remote Similarity | NPD7640 | Approved |
0.602 | Remote Similarity | NPD4252 | Approved |
0.6019 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6019 | Remote Similarity | NPD6083 | Phase 2 |
0.6019 | Remote Similarity | NPD6084 | Phase 2 |
0.6018 | Remote Similarity | NPD5697 | Approved |
0.6 | Remote Similarity | NPD1700 | Approved |
0.6 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8034 | Phase 2 |
0.6 | Remote Similarity | NPD5344 | Discontinued |
0.6 | Remote Similarity | NPD8035 | Phase 2 |
0.5983 | Remote Similarity | NPD8133 | Approved |
0.5968 | Remote Similarity | NPD7507 | Approved |
0.5965 | Remote Similarity | NPD6686 | Approved |
0.5965 | Remote Similarity | NPD6899 | Approved |
0.5965 | Remote Similarity | NPD6881 | Approved |
0.5965 | Remote Similarity | NPD7320 | Approved |
0.5962 | Remote Similarity | NPD6673 | Approved |
0.5962 | Remote Similarity | NPD6051 | Approved |
0.5962 | Remote Similarity | NPD6904 | Approved |
0.5962 | Remote Similarity | NPD6080 | Approved |
0.5948 | Remote Similarity | NPD6649 | Approved |
0.5948 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5948 | Remote Similarity | NPD6650 | Approved |
0.5929 | Remote Similarity | NPD5739 | Approved |
0.5929 | Remote Similarity | NPD6675 | Approved |
0.5929 | Remote Similarity | NPD7128 | Approved |
0.5929 | Remote Similarity | NPD6402 | Approved |
0.5913 | Remote Similarity | NPD6373 | Approved |
0.5913 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5913 | Remote Similarity | NPD6014 | Approved |
0.5913 | Remote Similarity | NPD6372 | Approved |
0.5913 | Remote Similarity | NPD6013 | Approved |
0.5913 | Remote Similarity | NPD6012 | Approved |
0.5905 | Remote Similarity | NPD5692 | Phase 3 |
0.5887 | Remote Similarity | NPD7492 | Approved |
0.5877 | Remote Similarity | NPD5701 | Approved |
0.5865 | Remote Similarity | NPD6672 | Approved |
0.5865 | Remote Similarity | NPD5208 | Approved |
0.5865 | Remote Similarity | NPD5737 | Approved |
0.5862 | Remote Similarity | NPD6883 | Approved |
0.5862 | Remote Similarity | NPD7290 | Approved |
0.5862 | Remote Similarity | NPD7102 | Approved |
0.5849 | Remote Similarity | NPD5281 | Approved |
0.5849 | Remote Similarity | NPD7983 | Approved |
0.5849 | Remote Similarity | NPD6050 | Approved |
0.5849 | Remote Similarity | NPD5284 | Approved |
0.5849 | Remote Similarity | NPD5694 | Approved |
0.5847 | Remote Similarity | NPD4632 | Approved |
0.5842 | Remote Similarity | NPD4788 | Approved |
0.584 | Remote Similarity | NPD6616 | Approved |
0.5827 | Remote Similarity | NPD7319 | Approved |
0.5826 | Remote Similarity | NPD6011 | Approved |
0.5825 | Remote Similarity | NPD6098 | Approved |
0.582 | Remote Similarity | NPD6319 | Approved |
0.582 | Remote Similarity | NPD6054 | Approved |
0.5818 | Remote Similarity | NPD4225 | Approved |
0.5818 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD4802 | Phase 2 |
0.5816 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD4238 | Approved |
0.5812 | Remote Similarity | NPD6847 | Approved |
0.5812 | Remote Similarity | NPD8130 | Phase 1 |
0.5812 | Remote Similarity | NPD6869 | Approved |
0.5812 | Remote Similarity | NPD6617 | Approved |
0.5794 | Remote Similarity | NPD7078 | Approved |
0.5794 | Remote Similarity | NPD5779 | Approved |
0.5794 | Remote Similarity | NPD5778 | Approved |
0.5772 | Remote Similarity | NPD6016 | Approved |
0.5772 | Remote Similarity | NPD8033 | Approved |
0.5772 | Remote Similarity | NPD6015 | Approved |
0.5763 | Remote Similarity | NPD8297 | Approved |
0.5763 | Remote Similarity | NPD6882 | Approved |
0.5752 | Remote Similarity | NPD6052 | Approved |
0.5748 | Remote Similarity | NPD7736 | Approved |
0.5739 | Remote Similarity | NPD6412 | Phase 2 |
0.5726 | Remote Similarity | NPD6370 | Approved |
0.5726 | Remote Similarity | NPD5988 | Approved |
0.5702 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD6009 | Approved |
0.5702 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD7637 | Suspended |
0.5691 | Remote Similarity | NPD6059 | Approved |
0.5688 | Remote Similarity | NPD5210 | Approved |
0.5688 | Remote Similarity | NPD4629 | Approved |
0.5682 | Remote Similarity | NPD3198 | Approved |
0.568 | Remote Similarity | NPD7604 | Phase 2 |
0.5669 | Remote Similarity | NPD8293 | Discontinued |
0.5664 | Remote Similarity | NPD5211 | Phase 2 |
0.5664 | Remote Similarity | NPD7632 | Discontinued |
0.566 | Remote Similarity | NPD4753 | Phase 2 |
0.5656 | Remote Similarity | NPD7328 | Approved |
0.5656 | Remote Similarity | NPD7327 | Approved |
0.5645 | Remote Similarity | NPD6291 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD5983 | Phase 2 |
0.5631 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD4696 | Approved |
0.5625 | Remote Similarity | NPD5285 | Approved |
0.5625 | Remote Similarity | NPD5286 | Approved |
0.562 | Remote Similarity | NPD6274 | Approved |
0.561 | Remote Similarity | NPD7516 | Approved |
0.5603 | Remote Similarity | NPD6685 | Approved |
PubChem CID   | |
ChEMBL   | CHEMBL3593381 |
ZINC   |
Molecular Weight:   | 306.15 |
ALogP:   | 0.0492 |
MLogP:   | 2.78 |
XLogP:   | 1.935 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 65.13 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 22 |