Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT742 | Organism | Influenza A virus | Influenza A virus | IC50 | = | 10800 | nM | 10869203 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 180 | nM | 23387824 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 4100 | nM | Open TG-GATES in vivo data: Hematology |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | MIC | = | 6000 | nM | 24359277 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 1000 | nM | PubChem BioAssay data set |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 1700 | nM | 23368996 |
NPT90 | Cell Line | DU-145 | Homo sapiens | IC50 | = | 380 | nM | 19128055 |
NPT466 | Cell Line | U-937 | Homo sapiens | IC50 | = | 210 | nM | 19128055 |
NPT742 | Organism | Influenza A virus | Influenza A virus | IC50 | = | 11600 | nM | PubChem BioAssay data set |
NPT2341 | Cell Line | NCI-H1975 | Homo sapiens | IC50 | = | 5400 | nM | 20491440 |
NPT2 | Others | Unspecified | IC50 | = | 6400 | nM | 21666868 | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | IC50 | = | 1200 | nM | 26034885 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 2000 | nM | 26034885 |
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 NPC138647 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 | NPC470238 |
0.9176 | High Similarity | NPC70251 |
0.9176 | High Similarity | NPC475881 |
0.9157 | High Similarity | NPC5130 |
0.8721 | High Similarity | NPC166919 |
0.8721 | High Similarity | NPC151770 |
0.8675 | High Similarity | NPC128429 |
0.8675 | High Similarity | NPC272814 |
0.8588 | High Similarity | NPC50637 |
0.8588 | High Similarity | NPC470242 |
0.8571 | High Similarity | NPC474213 |
0.8539 | High Similarity | NPC471147 |
0.8488 | Intermediate Similarity | NPC231889 |
0.8471 | Intermediate Similarity | NPC50362 |
0.8471 | Intermediate Similarity | NPC319795 |
0.8471 | Intermediate Similarity | NPC38468 |
0.8452 | Intermediate Similarity | NPC257358 |
0.8452 | Intermediate Similarity | NPC474472 |
0.8409 | Intermediate Similarity | NPC475748 |
0.8409 | Intermediate Similarity | NPC312042 |
0.837 | Intermediate Similarity | NPC208233 |
0.8352 | Intermediate Similarity | NPC35498 |
0.8333 | Intermediate Similarity | NPC473316 |
0.8333 | Intermediate Similarity | NPC473330 |
0.8333 | Intermediate Similarity | NPC140543 |
0.8276 | Intermediate Similarity | NPC475703 |
0.8276 | Intermediate Similarity | NPC270270 |
0.8256 | Intermediate Similarity | NPC304509 |
0.8256 | Intermediate Similarity | NPC474547 |
0.8256 | Intermediate Similarity | NPC47958 |
0.8256 | Intermediate Similarity | NPC149725 |
0.8222 | Intermediate Similarity | NPC212486 |
0.8214 | Intermediate Similarity | NPC141810 |
0.8202 | Intermediate Similarity | NPC62815 |
0.8202 | Intermediate Similarity | NPC469718 |
0.8202 | Intermediate Similarity | NPC251385 |
0.8202 | Intermediate Similarity | NPC329857 |
0.8202 | Intermediate Similarity | NPC49342 |
0.8193 | Intermediate Similarity | NPC80999 |
0.8193 | Intermediate Similarity | NPC617 |
0.8191 | Intermediate Similarity | NPC477511 |
0.8191 | Intermediate Similarity | NPC264477 |
0.8132 | Intermediate Similarity | NPC476267 |
0.8132 | Intermediate Similarity | NPC57405 |
0.8132 | Intermediate Similarity | NPC190294 |
0.8132 | Intermediate Similarity | NPC303942 |
0.8111 | Intermediate Similarity | NPC20713 |
0.8095 | Intermediate Similarity | NPC474981 |
0.809 | Intermediate Similarity | NPC472872 |
0.8068 | Intermediate Similarity | NPC118601 |
0.8068 | Intermediate Similarity | NPC186148 |
0.8065 | Intermediate Similarity | NPC471140 |
0.8043 | Intermediate Similarity | NPC14961 |
0.8043 | Intermediate Similarity | NPC475659 |
0.8043 | Intermediate Similarity | NPC476053 |
0.8043 | Intermediate Similarity | NPC270013 |
0.8022 | Intermediate Similarity | NPC125674 |
0.8022 | Intermediate Similarity | NPC475838 |
0.8022 | Intermediate Similarity | NPC228451 |
0.8 | Intermediate Similarity | NPC47635 |
0.8 | Intermediate Similarity | NPC201718 |
0.7979 | Intermediate Similarity | NPC279561 |
0.7979 | Intermediate Similarity | NPC473326 |
0.7978 | Intermediate Similarity | NPC202672 |
0.7978 | Intermediate Similarity | NPC178875 |
0.7978 | Intermediate Similarity | NPC224652 |
0.7978 | Intermediate Similarity | NPC58219 |
0.7978 | Intermediate Similarity | NPC177629 |
0.7957 | Intermediate Similarity | NPC476315 |
0.7957 | Intermediate Similarity | NPC473859 |
0.7957 | Intermediate Similarity | NPC31645 |
0.7957 | Intermediate Similarity | NPC39859 |
0.7957 | Intermediate Similarity | NPC76862 |
0.7957 | Intermediate Similarity | NPC470883 |
0.7957 | Intermediate Similarity | NPC158416 |
0.7955 | Intermediate Similarity | NPC162071 |
0.7938 | Intermediate Similarity | NPC477510 |
0.7938 | Intermediate Similarity | NPC471143 |
0.7935 | Intermediate Similarity | NPC81386 |
0.7935 | Intermediate Similarity | NPC474247 |
0.7935 | Intermediate Similarity | NPC474035 |
0.7912 | Intermediate Similarity | NPC155215 |
0.7912 | Intermediate Similarity | NPC184463 |
0.7907 | Intermediate Similarity | NPC246076 |
0.7895 | Intermediate Similarity | NPC288876 |
0.7895 | Intermediate Similarity | NPC477512 |
0.7889 | Intermediate Similarity | NPC92974 |
0.7889 | Intermediate Similarity | NPC307411 |
0.7889 | Intermediate Similarity | NPC4986 |
0.7872 | Intermediate Similarity | NPC328562 |
0.7872 | Intermediate Similarity | NPC323421 |
0.7872 | Intermediate Similarity | NPC474921 |
0.7865 | Intermediate Similarity | NPC190753 |
0.7857 | Intermediate Similarity | NPC23187 |
0.7849 | Intermediate Similarity | NPC474947 |
0.7849 | Intermediate Similarity | NPC56369 |
0.7826 | Intermediate Similarity | NPC258216 |
0.7826 | Intermediate Similarity | NPC476300 |
0.7826 | Intermediate Similarity | NPC475912 |
0.7802 | Intermediate Similarity | NPC51004 |
0.7791 | Intermediate Similarity | NPC207188 |
0.7789 | Intermediate Similarity | NPC45125 |
0.7778 | Intermediate Similarity | NPC79549 |
0.7778 | Intermediate Similarity | NPC477513 |
0.7766 | Intermediate Similarity | NPC476275 |
0.7766 | Intermediate Similarity | NPC230800 |
0.7766 | Intermediate Similarity | NPC17585 |
0.7766 | Intermediate Similarity | NPC279621 |
0.7753 | Intermediate Similarity | NPC475019 |
0.7753 | Intermediate Similarity | NPC476015 |
0.7753 | Intermediate Similarity | NPC474762 |
0.7753 | Intermediate Similarity | NPC304558 |
0.7753 | Intermediate Similarity | NPC284902 |
0.7753 | Intermediate Similarity | NPC474949 |
0.7742 | Intermediate Similarity | NPC66581 |
0.7732 | Intermediate Similarity | NPC471148 |
0.7727 | Intermediate Similarity | NPC474780 |
0.7717 | Intermediate Similarity | NPC12172 |
0.7717 | Intermediate Similarity | NPC191339 |
0.7717 | Intermediate Similarity | NPC286341 |
0.7717 | Intermediate Similarity | NPC30515 |
0.7717 | Intermediate Similarity | NPC208886 |
0.7711 | Intermediate Similarity | NPC471491 |
0.7708 | Intermediate Similarity | NPC471381 |
0.7708 | Intermediate Similarity | NPC186861 |
0.7692 | Intermediate Similarity | NPC215556 |
0.7667 | Intermediate Similarity | NPC24728 |
0.766 | Intermediate Similarity | NPC471141 |
0.766 | Intermediate Similarity | NPC475900 |
0.766 | Intermediate Similarity | NPC163228 |
0.766 | Intermediate Similarity | NPC36954 |
0.764 | Intermediate Similarity | NPC329749 |
0.764 | Intermediate Similarity | NPC235792 |
0.7634 | Intermediate Similarity | NPC179746 |
0.7634 | Intermediate Similarity | NPC81419 |
0.7634 | Intermediate Similarity | NPC153590 |
0.7634 | Intermediate Similarity | NPC135776 |
0.7629 | Intermediate Similarity | NPC15993 |
0.7629 | Intermediate Similarity | NPC475958 |
0.7629 | Intermediate Similarity | NPC476270 |
0.7619 | Intermediate Similarity | NPC235906 |
0.7614 | Intermediate Similarity | NPC475842 |
0.7614 | Intermediate Similarity | NPC170377 |
0.7614 | Intermediate Similarity | NPC54468 |
0.7609 | Intermediate Similarity | NPC474323 |
0.7609 | Intermediate Similarity | NPC216284 |
0.7609 | Intermediate Similarity | NPC179394 |
0.7609 | Intermediate Similarity | NPC206614 |
0.7609 | Intermediate Similarity | NPC144133 |
0.7609 | Intermediate Similarity | NPC475855 |
0.7586 | Intermediate Similarity | NPC281949 |
0.7586 | Intermediate Similarity | NPC25684 |
0.7586 | Intermediate Similarity | NPC301477 |
0.7582 | Intermediate Similarity | NPC217983 |
0.7582 | Intermediate Similarity | NPC473715 |
0.7582 | Intermediate Similarity | NPC207114 |
0.7582 | Intermediate Similarity | NPC471149 |
0.7579 | Intermediate Similarity | NPC476009 |
0.7558 | Intermediate Similarity | NPC19841 |
0.7556 | Intermediate Similarity | NPC475491 |
0.7556 | Intermediate Similarity | NPC238593 |
0.7556 | Intermediate Similarity | NPC204048 |
0.7556 | Intermediate Similarity | NPC309757 |
0.7556 | Intermediate Similarity | NPC469626 |
0.7556 | Intermediate Similarity | NPC64153 |
0.7556 | Intermediate Similarity | NPC469676 |
0.7556 | Intermediate Similarity | NPC187661 |
0.7556 | Intermediate Similarity | NPC236692 |
0.7551 | Intermediate Similarity | NPC324017 |
0.7551 | Intermediate Similarity | NPC320019 |
0.7529 | Intermediate Similarity | NPC141789 |
0.7529 | Intermediate Similarity | NPC208223 |
0.7529 | Intermediate Similarity | NPC171204 |
0.7529 | Intermediate Similarity | NPC476028 |
0.7529 | Intermediate Similarity | NPC476794 |
0.7529 | Intermediate Similarity | NPC470240 |
0.7528 | Intermediate Similarity | NPC151176 |
0.7528 | Intermediate Similarity | NPC3464 |
0.7528 | Intermediate Similarity | NPC114979 |
0.7528 | Intermediate Similarity | NPC191476 |
0.7528 | Intermediate Similarity | NPC475963 |
0.7527 | Intermediate Similarity | NPC133698 |
0.7527 | Intermediate Similarity | NPC184063 |
0.7527 | Intermediate Similarity | NPC131209 |
0.75 | Intermediate Similarity | NPC283409 |
0.75 | Intermediate Similarity | NPC474951 |
0.75 | Intermediate Similarity | NPC173926 |
0.75 | Intermediate Similarity | NPC155935 |
0.75 | Intermediate Similarity | NPC474032 |
0.75 | Intermediate Similarity | NPC155587 |
0.75 | Intermediate Similarity | NPC471150 |
0.75 | Intermediate Similarity | NPC295312 |
0.7471 | Intermediate Similarity | NPC293418 |
0.7471 | Intermediate Similarity | NPC474510 |
0.7471 | Intermediate Similarity | NPC73052 |
0.7471 | Intermediate Similarity | NPC290508 |
0.7471 | Intermediate Similarity | NPC223904 |
0.7451 | Intermediate Similarity | NPC59489 |
0.7451 | Intermediate Similarity | NPC139838 |
0.7449 | Intermediate Similarity | NPC473332 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC138647 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 |
---|---|---|---|
0.8471 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.7889 | Intermediate Similarity | NPD1695 | Approved |
0.6939 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD46 | Approved |
0.6875 | Remote Similarity | NPD6698 | Approved |
0.6604 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6531 | Remote Similarity | NPD7838 | Discovery |
0.6509 | Remote Similarity | NPD6008 | Approved |
0.6449 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6422 | Remote Similarity | NPD6371 | Approved |
0.6354 | Remote Similarity | NPD1694 | Approved |
0.6346 | Remote Similarity | NPD6648 | Approved |
0.63 | Remote Similarity | NPD7983 | Approved |
0.6286 | Remote Similarity | NPD5344 | Discontinued |
0.6273 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6235 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6211 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD5282 | Discontinued |
0.6161 | Remote Similarity | NPD6053 | Discontinued |
0.6078 | Remote Similarity | NPD5778 | Approved |
0.6078 | Remote Similarity | NPD5779 | Approved |
0.6071 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6042 | Remote Similarity | NPD6435 | Approved |
0.5979 | Remote Similarity | NPD7154 | Phase 3 |
0.596 | Remote Similarity | NPD4249 | Approved |
0.5946 | Remote Similarity | NPD6686 | Approved |
0.5943 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4250 | Approved |
0.59 | Remote Similarity | NPD4251 | Approved |
0.5882 | Remote Similarity | NPD5785 | Approved |
0.5876 | Remote Similarity | NPD5209 | Approved |
0.5833 | Remote Similarity | NPD5368 | Approved |
0.5804 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD5786 | Approved |
0.5794 | Remote Similarity | NPD4225 | Approved |
0.5784 | Remote Similarity | NPD6101 | Approved |
0.5784 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD5369 | Approved |
0.5755 | Remote Similarity | NPD7839 | Suspended |
0.575 | Remote Similarity | NPD8513 | Phase 3 |
0.575 | Remote Similarity | NPD8515 | Approved |
0.575 | Remote Similarity | NPD8516 | Approved |
0.575 | Remote Similarity | NPD8517 | Approved |
0.57 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.57 | Remote Similarity | NPD5363 | Approved |
0.5678 | Remote Similarity | NPD7115 | Discovery |
0.5673 | Remote Similarity | NPD6411 | Approved |
0.567 | Remote Similarity | NPD4821 | Approved |
0.567 | Remote Similarity | NPD4820 | Approved |
0.567 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.567 | Remote Similarity | NPD4822 | Approved |
0.567 | Remote Similarity | NPD4819 | Approved |
0.5657 | Remote Similarity | NPD5362 | Discontinued |
0.5656 | Remote Similarity | NPD7642 | Approved |
0.5648 | Remote Similarity | NPD7638 | Approved |
0.5638 | Remote Similarity | NPD8039 | Approved |
0.5619 | Remote Similarity | NPD6399 | Phase 3 |
PubChem CID   | |
ChEMBL   | CHEMBL3623293 |
ZINC   |
Molecular Weight:   | 264.14 |
ALogP:   | 0.4433 |
MLogP:   | 2.67 |
XLogP:   | 1.645 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 51.36 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 19 |