Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10 | ug/ml | 23816880 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10 | ug/ml | 10.1039/C4MD00124A |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 10 | ug/ml | 15620263 |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | > | 10 | ug/ml | 9868159 |
NPT547 | Cell Line | BGC-823 | Homo sapiens | IC50 | > | 10 | ug/ml | 23701597 |
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 NPC94897 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 |
---|---|---|
0.9153 | High Similarity | NPC47663 |
0.8676 | High Similarity | NPC470151 |
0.8636 | High Similarity | NPC470833 |
0.8406 | Intermediate Similarity | NPC228994 |
0.8406 | Intermediate Similarity | NPC10476 |
0.8406 | Intermediate Similarity | NPC192501 |
0.8286 | Intermediate Similarity | NPC158208 |
0.8286 | Intermediate Similarity | NPC243027 |
0.8286 | Intermediate Similarity | NPC196136 |
0.8194 | Intermediate Similarity | NPC147993 |
0.8136 | Intermediate Similarity | NPC476149 |
0.8136 | Intermediate Similarity | NPC244869 |
0.8136 | Intermediate Similarity | NPC300235 |
0.8136 | Intermediate Similarity | NPC476136 |
0.8095 | Intermediate Similarity | NPC185116 |
0.8065 | Intermediate Similarity | NPC236588 |
0.8056 | Intermediate Similarity | NPC105208 |
0.8056 | Intermediate Similarity | NPC128951 |
0.8056 | Intermediate Similarity | NPC477227 |
0.8056 | Intermediate Similarity | NPC192046 |
0.8056 | Intermediate Similarity | NPC302578 |
0.8033 | Intermediate Similarity | NPC471269 |
0.8 | Intermediate Similarity | NPC95165 |
0.7945 | Intermediate Similarity | NPC18857 |
0.7945 | Intermediate Similarity | NPC67657 |
0.7941 | Intermediate Similarity | NPC474756 |
0.7917 | Intermediate Similarity | NPC163597 |
0.7867 | Intermediate Similarity | NPC470156 |
0.7838 | Intermediate Similarity | NPC269333 |
0.7826 | Intermediate Similarity | NPC234511 |
0.7808 | Intermediate Similarity | NPC185915 |
0.7778 | Intermediate Similarity | NPC472952 |
0.7778 | Intermediate Similarity | NPC135438 |
0.7778 | Intermediate Similarity | NPC317242 |
0.7778 | Intermediate Similarity | NPC472950 |
0.7763 | Intermediate Similarity | NPC470155 |
0.7763 | Intermediate Similarity | NPC477446 |
0.7763 | Intermediate Similarity | NPC477447 |
0.7761 | Intermediate Similarity | NPC260116 |
0.7733 | Intermediate Similarity | NPC186588 |
0.7733 | Intermediate Similarity | NPC16449 |
0.7705 | Intermediate Similarity | NPC102336 |
0.7705 | Intermediate Similarity | NPC36002 |
0.7703 | Intermediate Similarity | NPC52755 |
0.7681 | Intermediate Similarity | NPC266578 |
0.7681 | Intermediate Similarity | NPC475893 |
0.7681 | Intermediate Similarity | NPC469987 |
0.7681 | Intermediate Similarity | NPC244790 |
0.7662 | Intermediate Similarity | NPC241959 |
0.7662 | Intermediate Similarity | NPC478054 |
0.7639 | Intermediate Similarity | NPC475458 |
0.7639 | Intermediate Similarity | NPC304499 |
0.7632 | Intermediate Similarity | NPC470154 |
0.76 | Intermediate Similarity | NPC81074 |
0.76 | Intermediate Similarity | NPC477282 |
0.76 | Intermediate Similarity | NPC287452 |
0.7571 | Intermediate Similarity | NPC107919 |
0.7571 | Intermediate Similarity | NPC66407 |
0.7564 | Intermediate Similarity | NPC320824 |
0.7536 | Intermediate Similarity | NPC179823 |
0.7536 | Intermediate Similarity | NPC185874 |
0.7536 | Intermediate Similarity | NPC269077 |
0.7536 | Intermediate Similarity | NPC253303 |
0.7536 | Intermediate Similarity | NPC204233 |
0.7536 | Intermediate Similarity | NPC139207 |
0.7532 | Intermediate Similarity | NPC202688 |
0.7532 | Intermediate Similarity | NPC154043 |
0.7532 | Intermediate Similarity | NPC60018 |
0.75 | Intermediate Similarity | NPC472946 |
0.75 | Intermediate Similarity | NPC470610 |
0.75 | Intermediate Similarity | NPC153719 |
0.7465 | Intermediate Similarity | NPC283316 |
0.7465 | Intermediate Similarity | NPC231945 |
0.7463 | Intermediate Similarity | NPC236099 |
0.7463 | Intermediate Similarity | NPC209686 |
0.7463 | Intermediate Similarity | NPC249078 |
0.7436 | Intermediate Similarity | NPC85095 |
0.7436 | Intermediate Similarity | NPC216420 |
0.7436 | Intermediate Similarity | NPC211135 |
0.7432 | Intermediate Similarity | NPC63958 |
0.7397 | Intermediate Similarity | NPC166250 |
0.7397 | Intermediate Similarity | NPC48795 |
0.7385 | Intermediate Similarity | NPC476209 |
0.7385 | Intermediate Similarity | NPC475515 |
0.7385 | Intermediate Similarity | NPC87296 |
0.7385 | Intermediate Similarity | NPC215671 |
0.7361 | Intermediate Similarity | NPC252182 |
0.7361 | Intermediate Similarity | NPC187471 |
0.7361 | Intermediate Similarity | NPC1340 |
0.7361 | Intermediate Similarity | NPC470071 |
0.7361 | Intermediate Similarity | NPC127094 |
0.7333 | Intermediate Similarity | NPC11907 |
0.7333 | Intermediate Similarity | NPC133596 |
0.7333 | Intermediate Similarity | NPC64081 |
0.7333 | Intermediate Similarity | NPC474574 |
0.7324 | Intermediate Similarity | NPC299948 |
0.7324 | Intermediate Similarity | NPC241085 |
0.7324 | Intermediate Similarity | NPC470830 |
0.7324 | Intermediate Similarity | NPC254037 |
0.7324 | Intermediate Similarity | NPC477820 |
0.7324 | Intermediate Similarity | NPC129829 |
0.7313 | Intermediate Similarity | NPC95804 |
0.7313 | Intermediate Similarity | NPC185547 |
0.7302 | Intermediate Similarity | NPC53209 |
0.7297 | Intermediate Similarity | NPC231680 |
0.7297 | Intermediate Similarity | NPC270306 |
0.7297 | Intermediate Similarity | NPC91387 |
0.7288 | Intermediate Similarity | NPC176309 |
0.7288 | Intermediate Similarity | NPC198540 |
0.7288 | Intermediate Similarity | NPC84030 |
0.7288 | Intermediate Similarity | NPC223468 |
0.7288 | Intermediate Similarity | NPC147343 |
0.7288 | Intermediate Similarity | NPC287550 |
0.7284 | Intermediate Similarity | NPC110365 |
0.7284 | Intermediate Similarity | NPC213658 |
0.7284 | Intermediate Similarity | NPC62202 |
0.7284 | Intermediate Similarity | NPC45833 |
0.7273 | Intermediate Similarity | NPC95124 |
0.7273 | Intermediate Similarity | NPC471266 |
0.7273 | Intermediate Similarity | NPC472951 |
0.7273 | Intermediate Similarity | NPC472943 |
0.726 | Intermediate Similarity | NPC253805 |
0.725 | Intermediate Similarity | NPC266651 |
0.7246 | Intermediate Similarity | NPC80463 |
0.7237 | Intermediate Similarity | NPC43463 |
0.7237 | Intermediate Similarity | NPC177343 |
0.7237 | Intermediate Similarity | NPC471769 |
0.7237 | Intermediate Similarity | NPC272841 |
0.7222 | Intermediate Similarity | NPC63588 |
0.7222 | Intermediate Similarity | NPC232925 |
0.7222 | Intermediate Similarity | NPC192192 |
0.7222 | Intermediate Similarity | NPC251201 |
0.7215 | Intermediate Similarity | NPC477978 |
0.72 | Intermediate Similarity | NPC136424 |
0.72 | Intermediate Similarity | NPC477601 |
0.72 | Intermediate Similarity | NPC473916 |
0.72 | Intermediate Similarity | NPC477602 |
0.7195 | Intermediate Similarity | NPC476379 |
0.7183 | Intermediate Similarity | NPC472741 |
0.7183 | Intermediate Similarity | NPC245795 |
0.7179 | Intermediate Similarity | NPC211049 |
0.7179 | Intermediate Similarity | NPC471270 |
0.716 | Intermediate Similarity | NPC121981 |
0.716 | Intermediate Similarity | NPC268633 |
0.716 | Intermediate Similarity | NPC474215 |
0.716 | Intermediate Similarity | NPC475729 |
0.7143 | Intermediate Similarity | NPC44122 |
0.7123 | Intermediate Similarity | NPC131506 |
0.7123 | Intermediate Similarity | NPC242992 |
0.7123 | Intermediate Similarity | NPC157777 |
0.7121 | Intermediate Similarity | NPC182903 |
0.7119 | Intermediate Similarity | NPC77550 |
0.7119 | Intermediate Similarity | NPC108441 |
0.7105 | Intermediate Similarity | NPC476233 |
0.7101 | Intermediate Similarity | NPC101128 |
0.7097 | Intermediate Similarity | NPC307022 |
0.7089 | Intermediate Similarity | NPC475388 |
0.7073 | Intermediate Similarity | NPC5943 |
0.7073 | Intermediate Similarity | NPC263802 |
0.7067 | Intermediate Similarity | NPC131584 |
0.7067 | Intermediate Similarity | NPC139765 |
0.7051 | Intermediate Similarity | NPC186594 |
0.7051 | Intermediate Similarity | NPC236707 |
0.7049 | Intermediate Similarity | NPC316035 |
0.7042 | Intermediate Similarity | NPC48079 |
0.7042 | Intermediate Similarity | NPC476928 |
0.7042 | Intermediate Similarity | NPC473230 |
0.7042 | Intermediate Similarity | NPC63190 |
0.7042 | Intermediate Similarity | NPC475884 |
0.7027 | Intermediate Similarity | NPC473238 |
0.7027 | Intermediate Similarity | NPC472341 |
0.7013 | Intermediate Similarity | NPC478084 |
0.7013 | Intermediate Similarity | NPC252483 |
0.7013 | Intermediate Similarity | NPC191345 |
0.7013 | Intermediate Similarity | NPC31828 |
0.7 | Intermediate Similarity | NPC11555 |
0.7 | Intermediate Similarity | NPC60837 |
0.7 | Intermediate Similarity | NPC2728 |
0.7 | Intermediate Similarity | NPC208198 |
0.7 | Intermediate Similarity | NPC227170 |
0.7 | Intermediate Similarity | NPC282619 |
0.7 | Intermediate Similarity | NPC172613 |
0.7 | Intermediate Similarity | NPC470929 |
0.6988 | Remote Similarity | NPC473436 |
0.6986 | Remote Similarity | NPC282454 |
0.6974 | Remote Similarity | NPC107963 |
0.6974 | Remote Similarity | NPC470145 |
0.6962 | Remote Similarity | NPC119922 |
0.6962 | Remote Similarity | NPC116320 |
0.6957 | Remote Similarity | NPC290791 |
0.6957 | Remote Similarity | NPC292419 |
0.6957 | Remote Similarity | NPC114891 |
0.6951 | Remote Similarity | NPC215968 |
0.6951 | Remote Similarity | NPC471240 |
0.6951 | Remote Similarity | NPC155531 |
0.6951 | Remote Similarity | NPC471410 |
0.6951 | Remote Similarity | NPC131365 |
0.6951 | Remote Similarity | NPC107603 |
0.6951 | Remote Similarity | NPC471411 |
0.6949 | Remote Similarity | NPC240994 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC94897 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 |
---|---|---|---|
0.873 | High Similarity | NPD371 | Approved |
0.7571 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7288 | Intermediate Similarity | NPD385 | Approved |
0.7288 | Intermediate Similarity | NPD384 | Approved |
0.7119 | Intermediate Similarity | NPD388 | Approved |
0.7119 | Intermediate Similarity | NPD386 | Approved |
0.6986 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6711 | Remote Similarity | NPD1811 | Approved |
0.6711 | Remote Similarity | NPD1810 | Approved |
0.6623 | Remote Similarity | NPD3703 | Phase 2 |
0.6533 | Remote Similarity | NPD4787 | Phase 1 |
0.64 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.64 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6375 | Remote Similarity | NPD6115 | Approved |
0.6375 | Remote Similarity | NPD6118 | Approved |
0.6375 | Remote Similarity | NPD6114 | Approved |
0.6375 | Remote Similarity | NPD6697 | Approved |
0.625 | Remote Similarity | NPD6116 | Phase 1 |
0.6234 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.622 | Remote Similarity | NPD6928 | Phase 2 |
0.622 | Remote Similarity | NPD7525 | Registered |
0.6125 | Remote Similarity | NPD6117 | Approved |
0.6104 | Remote Similarity | NPD2254 | Approved |
0.6104 | Remote Similarity | NPD2687 | Approved |
0.6104 | Remote Similarity | NPD2686 | Approved |
0.6098 | Remote Similarity | NPD7645 | Phase 2 |
0.6081 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8996 | Phase 3 |
0.6 | Remote Similarity | NPD8995 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD3698 | Phase 2 |
0.596 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5934 | Remote Similarity | NPD8171 | Discontinued |
0.5909 | Remote Similarity | NPD7524 | Approved |
0.59 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD4245 | Approved |
0.5897 | Remote Similarity | NPD4244 | Approved |
0.5873 | Remote Similarity | NPD9219 | Approved |
0.5873 | Remote Similarity | NPD9218 | Clinical (unspecified phase) |
0.5844 | Remote Similarity | NPD5360 | Phase 3 |
0.5844 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD6930 | Phase 2 |
0.5833 | Remote Similarity | NPD6931 | Approved |
0.5814 | Remote Similarity | NPD3669 | Approved |
0.5814 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD3671 | Phase 1 |
0.5747 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD6933 | Approved |
0.5714 | Remote Similarity | NPD367 | Approved |
0.5714 | Remote Similarity | NPD3168 | Discontinued |
0.5714 | Remote Similarity | NPD6929 | Approved |
0.5696 | Remote Similarity | NPD4789 | Approved |
0.567 | Remote Similarity | NPD1700 | Approved |
0.567 | Remote Similarity | NPD5344 | Discontinued |
0.567 | Remote Similarity | NPD4159 | Approved |
0.5663 | Remote Similarity | NPD6932 | Approved |
0.5647 | Remote Similarity | NPD4748 | Discontinued |
0.5641 | Remote Similarity | NPD6705 | Phase 1 |
0.5632 | Remote Similarity | NPD6695 | Phase 3 |
0.5625 | Remote Similarity | NPD4758 | Discontinued |
0.561 | Remote Similarity | NPD6942 | Approved |
0.561 | Remote Similarity | NPD7339 | Approved |
PubChem CID   | 21589754 |
ChEMBL   | CHEMBL462750 |
ZINC   |
Molecular Weight:   | 256.20 |
ALogP:   | -0.4451 |
MLogP:   | 2.78 |
XLogP:   | 3.087 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 60.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 2 |
# Heavy Atoms:   | 18 |