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 | 20335035 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10 | ug/ml | 18442289 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | IC50 | > | 10 | ug/ml | 18998696 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 10 | ug/ml | 10.1021/np960649a |
NPT547 | Cell Line | BGC-823 | Homo sapiens | IC50 | > | 10 | ug/ml | 9213587 |
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 NPC23231 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 | NPC60818 |
0.9 | High Similarity | NPC217570 |
0.9 | High Similarity | NPC90115 |
0.8286 | Intermediate Similarity | NPC110241 |
0.8194 | Intermediate Similarity | NPC477791 |
0.8052 | Intermediate Similarity | NPC126969 |
0.7945 | Intermediate Similarity | NPC136813 |
0.7917 | Intermediate Similarity | NPC19569 |
0.7887 | Intermediate Similarity | NPC473508 |
0.7875 | Intermediate Similarity | NPC324772 |
0.7867 | Intermediate Similarity | NPC254845 |
0.7848 | Intermediate Similarity | NPC475980 |
0.7838 | Intermediate Similarity | NPC167527 |
0.7838 | Intermediate Similarity | NPC224532 |
0.7821 | Intermediate Similarity | NPC471658 |
0.7778 | Intermediate Similarity | NPC320525 |
0.775 | Intermediate Similarity | NPC204270 |
0.7722 | Intermediate Similarity | NPC471454 |
0.7703 | Intermediate Similarity | NPC73603 |
0.7683 | Intermediate Similarity | NPC472465 |
0.7662 | Intermediate Similarity | NPC14352 |
0.7662 | Intermediate Similarity | NPC234527 |
0.7639 | Intermediate Similarity | NPC211291 |
0.7639 | Intermediate Similarity | NPC133368 |
0.7632 | Intermediate Similarity | NPC470041 |
0.7606 | Intermediate Similarity | NPC471081 |
0.7595 | Intermediate Similarity | NPC310643 |
0.759 | Intermediate Similarity | NPC320548 |
0.7568 | Intermediate Similarity | NPC162309 |
0.7568 | Intermediate Similarity | NPC311736 |
0.7568 | Intermediate Similarity | NPC267027 |
0.7564 | Intermediate Similarity | NPC329090 |
0.7564 | Intermediate Similarity | NPC27395 |
0.7564 | Intermediate Similarity | NPC471659 |
0.7564 | Intermediate Similarity | NPC309178 |
0.7534 | Intermediate Similarity | NPC300593 |
0.7534 | Intermediate Similarity | NPC309300 |
0.7532 | Intermediate Similarity | NPC471662 |
0.7532 | Intermediate Similarity | NPC41886 |
0.75 | Intermediate Similarity | NPC210346 |
0.75 | Intermediate Similarity | NPC225342 |
0.75 | Intermediate Similarity | NPC31037 |
0.75 | Intermediate Similarity | NPC86917 |
0.7468 | Intermediate Similarity | NPC313185 |
0.7468 | Intermediate Similarity | NPC328104 |
0.7468 | Intermediate Similarity | NPC319090 |
0.7467 | Intermediate Similarity | NPC472253 |
0.7467 | Intermediate Similarity | NPC472255 |
0.7467 | Intermediate Similarity | NPC163290 |
0.7467 | Intermediate Similarity | NPC82337 |
0.7465 | Intermediate Similarity | NPC122239 |
0.7436 | Intermediate Similarity | NPC130665 |
0.7432 | Intermediate Similarity | NPC308844 |
0.7432 | Intermediate Similarity | NPC187619 |
0.7432 | Intermediate Similarity | NPC61503 |
0.7432 | Intermediate Similarity | NPC238352 |
0.7432 | Intermediate Similarity | NPC477009 |
0.7403 | Intermediate Similarity | NPC471781 |
0.7397 | Intermediate Similarity | NPC473759 |
0.7397 | Intermediate Similarity | NPC474155 |
0.7375 | Intermediate Similarity | NPC315261 |
0.7368 | Intermediate Similarity | NPC305698 |
0.7361 | Intermediate Similarity | NPC99487 |
0.7361 | Intermediate Similarity | NPC66020 |
0.7349 | Intermediate Similarity | NPC209620 |
0.7349 | Intermediate Similarity | NPC23852 |
0.7349 | Intermediate Similarity | NPC471661 |
0.7342 | Intermediate Similarity | NPC306727 |
0.7333 | Intermediate Similarity | NPC230107 |
0.7333 | Intermediate Similarity | NPC272125 |
0.7326 | Intermediate Similarity | NPC152808 |
0.7326 | Intermediate Similarity | NPC293287 |
0.7324 | Intermediate Similarity | NPC155025 |
0.7324 | Intermediate Similarity | NPC475830 |
0.7317 | Intermediate Similarity | NPC31258 |
0.7308 | Intermediate Similarity | NPC477792 |
0.7308 | Intermediate Similarity | NPC469343 |
0.7294 | Intermediate Similarity | NPC474493 |
0.7294 | Intermediate Similarity | NPC238485 |
0.7273 | Intermediate Similarity | NPC329989 |
0.7273 | Intermediate Similarity | NPC473893 |
0.7273 | Intermediate Similarity | NPC74722 |
0.7273 | Intermediate Similarity | NPC239373 |
0.7273 | Intermediate Similarity | NPC304690 |
0.7273 | Intermediate Similarity | NPC471560 |
0.7262 | Intermediate Similarity | NPC50964 |
0.726 | Intermediate Similarity | NPC63111 |
0.725 | Intermediate Similarity | NPC32832 |
0.7237 | Intermediate Similarity | NPC114651 |
0.7237 | Intermediate Similarity | NPC259299 |
0.7222 | Intermediate Similarity | NPC475931 |
0.7215 | Intermediate Similarity | NPC329763 |
0.72 | Intermediate Similarity | NPC205618 |
0.72 | Intermediate Similarity | NPC469326 |
0.72 | Intermediate Similarity | NPC261782 |
0.72 | Intermediate Similarity | NPC471200 |
0.7179 | Intermediate Similarity | NPC34834 |
0.7176 | Intermediate Similarity | NPC470384 |
0.7176 | Intermediate Similarity | NPC471340 |
0.7176 | Intermediate Similarity | NPC477667 |
0.7162 | Intermediate Similarity | NPC474480 |
0.7162 | Intermediate Similarity | NPC279200 |
0.716 | Intermediate Similarity | NPC253190 |
0.716 | Intermediate Similarity | NPC170148 |
0.7143 | Intermediate Similarity | NPC47761 |
0.7143 | Intermediate Similarity | NPC471238 |
0.7143 | Intermediate Similarity | NPC96484 |
0.7143 | Intermediate Similarity | NPC264245 |
0.7126 | Intermediate Similarity | NPC6391 |
0.7126 | Intermediate Similarity | NPC261266 |
0.7126 | Intermediate Similarity | NPC477668 |
0.7125 | Intermediate Similarity | NPC102463 |
0.7125 | Intermediate Similarity | NPC190859 |
0.7123 | Intermediate Similarity | NPC240506 |
0.7108 | Intermediate Similarity | NPC47982 |
0.7108 | Intermediate Similarity | NPC81306 |
0.7108 | Intermediate Similarity | NPC143182 |
0.7108 | Intermediate Similarity | NPC84694 |
0.7108 | Intermediate Similarity | NPC109546 |
0.7108 | Intermediate Similarity | NPC472463 |
0.7108 | Intermediate Similarity | NPC28862 |
0.7105 | Intermediate Similarity | NPC202017 |
0.7105 | Intermediate Similarity | NPC326310 |
0.7093 | Intermediate Similarity | NPC231310 |
0.7089 | Intermediate Similarity | NPC471272 |
0.7089 | Intermediate Similarity | NPC471660 |
0.7083 | Intermediate Similarity | NPC10017 |
0.7083 | Intermediate Similarity | NPC226848 |
0.7073 | Intermediate Similarity | NPC476703 |
0.7073 | Intermediate Similarity | NPC476007 |
0.7059 | Intermediate Similarity | NPC49964 |
0.7059 | Intermediate Similarity | NPC202389 |
0.7051 | Intermediate Similarity | NPC167272 |
0.7051 | Intermediate Similarity | NPC144647 |
0.7051 | Intermediate Similarity | NPC269877 |
0.7051 | Intermediate Similarity | NPC474248 |
0.7042 | Intermediate Similarity | NPC24443 |
0.7037 | Intermediate Similarity | NPC133580 |
0.7037 | Intermediate Similarity | NPC69383 |
0.7037 | Intermediate Similarity | NPC313179 |
0.7037 | Intermediate Similarity | NPC171148 |
0.7033 | Intermediate Similarity | NPC310013 |
0.7027 | Intermediate Similarity | NPC68679 |
0.7027 | Intermediate Similarity | NPC274704 |
0.7027 | Intermediate Similarity | NPC207007 |
0.7027 | Intermediate Similarity | NPC321867 |
0.7024 | Intermediate Similarity | NPC164840 |
0.7024 | Intermediate Similarity | NPC234193 |
0.7024 | Intermediate Similarity | NPC96362 |
0.7024 | Intermediate Similarity | NPC241290 |
0.7024 | Intermediate Similarity | NPC26117 |
0.7024 | Intermediate Similarity | NPC209944 |
0.7013 | Intermediate Similarity | NPC69649 |
0.7013 | Intermediate Similarity | NPC68703 |
0.7 | Intermediate Similarity | NPC220939 |
0.7 | Intermediate Similarity | NPC472466 |
0.7 | Intermediate Similarity | NPC474743 |
0.7 | Intermediate Similarity | NPC265485 |
0.6988 | Remote Similarity | NPC87604 |
0.6988 | Remote Similarity | NPC474216 |
0.6988 | Remote Similarity | NPC470944 |
0.6988 | Remote Similarity | NPC473943 |
0.6988 | Remote Similarity | NPC477514 |
0.6986 | Remote Similarity | NPC5698 |
0.6977 | Remote Similarity | NPC185605 |
0.6977 | Remote Similarity | NPC472377 |
0.6977 | Remote Similarity | NPC474634 |
0.6977 | Remote Similarity | NPC475789 |
0.6974 | Remote Similarity | NPC300442 |
0.6966 | Remote Similarity | NPC280556 |
0.6966 | Remote Similarity | NPC474668 |
0.6962 | Remote Similarity | NPC9161 |
0.6962 | Remote Similarity | NPC133873 |
0.6962 | Remote Similarity | NPC49422 |
0.6951 | Remote Similarity | NPC96319 |
0.6951 | Remote Similarity | NPC244488 |
0.6951 | Remote Similarity | NPC247325 |
0.6951 | Remote Similarity | NPC268111 |
0.6951 | Remote Similarity | NPC265588 |
0.6941 | Remote Similarity | NPC249423 |
0.6941 | Remote Similarity | NPC471270 |
0.6941 | Remote Similarity | NPC476646 |
0.6933 | Remote Similarity | NPC83200 |
0.6923 | Remote Similarity | NPC472468 |
0.6923 | Remote Similarity | NPC245795 |
0.6914 | Remote Similarity | NPC476366 |
0.6914 | Remote Similarity | NPC206875 |
0.6914 | Remote Similarity | NPC201048 |
0.6905 | Remote Similarity | NPC209430 |
0.6905 | Remote Similarity | NPC476701 |
0.6905 | Remote Similarity | NPC30986 |
0.6901 | Remote Similarity | NPC298299 |
0.6901 | Remote Similarity | NPC329686 |
0.6897 | Remote Similarity | NPC205845 |
0.6897 | Remote Similarity | NPC83702 |
0.6892 | Remote Similarity | NPC323153 |
0.6892 | Remote Similarity | NPC252809 |
0.6889 | Remote Similarity | NPC257485 |
0.6889 | Remote Similarity | NPC299527 |
0.6889 | Remote Similarity | NPC49783 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC23231 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 |
---|---|---|---|
0.7875 | Intermediate Similarity | NPD6931 | Approved |
0.7875 | Intermediate Similarity | NPD6930 | Phase 2 |
0.7875 | Intermediate Similarity | NPD7332 | Phase 2 |
0.775 | Intermediate Similarity | NPD6929 | Approved |
0.7654 | Intermediate Similarity | NPD7514 | Phase 3 |
0.7625 | Intermediate Similarity | NPD7322 | Clinical (unspecified phase) |
0.759 | Intermediate Similarity | NPD6695 | Phase 3 |
0.7564 | Intermediate Similarity | NPD6926 | Approved |
0.7564 | Intermediate Similarity | NPD6924 | Approved |
0.7561 | Intermediate Similarity | NPD6898 | Phase 1 |
0.75 | Intermediate Similarity | NPD7338 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD5776 | Phase 2 |
0.75 | Intermediate Similarity | NPD6925 | Approved |
0.7412 | Intermediate Similarity | NPD6893 | Approved |
0.7407 | Intermediate Similarity | NPD7145 | Approved |
0.7375 | Intermediate Similarity | NPD6933 | Approved |
0.7349 | Intermediate Similarity | NPD6902 | Approved |
0.7284 | Intermediate Similarity | NPD6932 | Approved |
0.7241 | Intermediate Similarity | NPD7750 | Discontinued |
0.7241 | Intermediate Similarity | NPD4751 | Clinical (unspecified phase) |
0.7241 | Intermediate Similarity | NPD7524 | Approved |
0.7229 | Intermediate Similarity | NPD7509 | Discontinued |
0.7108 | Intermediate Similarity | NPD6683 | Phase 2 |
0.7051 | Intermediate Similarity | NPD6922 | Approved |
0.7051 | Intermediate Similarity | NPD6923 | Approved |
0.7037 | Intermediate Similarity | NPD8264 | Approved |
0.7027 | Intermediate Similarity | NPD368 | Approved |
0.7 | Intermediate Similarity | NPD4732 | Discontinued |
0.6962 | Remote Similarity | NPD7143 | Approved |
0.6962 | Remote Similarity | NPD7144 | Approved |
0.6951 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD7087 | Discontinued |
0.6875 | Remote Similarity | NPD7150 | Approved |
0.6875 | Remote Similarity | NPD7151 | Approved |
0.6875 | Remote Similarity | NPD7152 | Approved |
0.6667 | Remote Similarity | NPD342 | Phase 1 |
0.663 | Remote Similarity | NPD7136 | Phase 2 |
0.6628 | Remote Similarity | NPD4820 | Approved |
0.6628 | Remote Similarity | NPD4819 | Approved |
0.6628 | Remote Similarity | NPD4822 | Approved |
0.6628 | Remote Similarity | NPD4821 | Approved |
0.6627 | Remote Similarity | NPD7339 | Approved |
0.6627 | Remote Similarity | NPD6942 | Approved |
0.6591 | Remote Similarity | NPD5362 | Discontinued |
0.6559 | Remote Similarity | NPD7637 | Suspended |
0.6444 | Remote Similarity | NPD1696 | Phase 3 |
0.6437 | Remote Similarity | NPD7525 | Registered |
0.6404 | Remote Similarity | NPD5332 | Approved |
0.6404 | Remote Similarity | NPD5331 | Approved |
0.6395 | Remote Similarity | NPD4271 | Approved |
0.6395 | Remote Similarity | NPD4268 | Approved |
0.6395 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD4790 | Discontinued |
0.6351 | Remote Similarity | NPD4219 | Approved |
0.631 | Remote Similarity | NPD4785 | Approved |
0.631 | Remote Similarity | NPD4784 | Approved |
0.6292 | Remote Similarity | NPD3667 | Approved |
0.6292 | Remote Similarity | NPD4270 | Approved |
0.6292 | Remote Similarity | NPD4269 | Approved |
0.6265 | Remote Similarity | NPD4243 | Approved |
0.625 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4748 | Discontinued |
0.6222 | Remote Similarity | NPD7154 | Phase 3 |
0.6196 | Remote Similarity | NPD4249 | Approved |
0.6196 | Remote Similarity | NPD5279 | Phase 3 |
0.6154 | Remote Similarity | NPD3665 | Phase 1 |
0.6154 | Remote Similarity | NPD3666 | Approved |
0.6154 | Remote Similarity | NPD3133 | Approved |
0.6154 | Remote Similarity | NPD4786 | Approved |
0.6146 | Remote Similarity | NPD5779 | Approved |
0.6146 | Remote Similarity | NPD5778 | Approved |
0.6129 | Remote Similarity | NPD4251 | Approved |
0.6129 | Remote Similarity | NPD4250 | Approved |
0.6117 | Remote Similarity | NPD6640 | Phase 3 |
0.6105 | Remote Similarity | NPD5785 | Approved |
0.6087 | Remote Similarity | NPD5363 | Approved |
0.6067 | Remote Similarity | NPD4252 | Approved |
0.6047 | Remote Similarity | NPD4190 | Phase 3 |
0.6047 | Remote Similarity | NPD5275 | Approved |
0.6022 | Remote Similarity | NPD5786 | Approved |
0.6 | Remote Similarity | NPD5369 | Approved |
0.5955 | Remote Similarity | NPD7645 | Phase 2 |
0.5955 | Remote Similarity | NPD4195 | Approved |
0.5941 | Remote Similarity | NPD7639 | Approved |
0.5941 | Remote Similarity | NPD7640 | Approved |
0.5938 | Remote Similarity | NPD7838 | Discovery |
0.5918 | Remote Similarity | NPD5282 | Discontinued |
0.5914 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5895 | Remote Similarity | NPD4518 | Approved |
0.5888 | Remote Similarity | NPD6371 | Approved |
0.5876 | Remote Similarity | NPD7983 | Approved |
0.5851 | Remote Similarity | NPD4694 | Approved |
0.5851 | Remote Similarity | NPD3618 | Phase 1 |
0.5851 | Remote Similarity | NPD4519 | Discontinued |
0.5851 | Remote Similarity | NPD5280 | Approved |
0.5851 | Remote Similarity | NPD4623 | Approved |
0.5842 | Remote Similarity | NPD7638 | Approved |
0.5833 | Remote Similarity | NPD4753 | Phase 2 |
0.5816 | Remote Similarity | NPD4202 | Approved |
0.5773 | Remote Similarity | NPD4001 | Clinical (unspecified phase) |
0.5761 | Remote Similarity | NPD4221 | Approved |
0.5761 | Remote Similarity | NPD4223 | Phase 3 |
0.5761 | Remote Similarity | NPD5209 | Approved |
0.5714 | Remote Similarity | NPD6411 | Approved |
0.5714 | Remote Similarity | NPD5368 | Approved |
0.57 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD4225 | Approved |
0.5686 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5673 | Remote Similarity | NPD5211 | Phase 2 |
0.567 | Remote Similarity | NPD6051 | Approved |
0.567 | Remote Similarity | NPD1695 | Approved |
0.567 | Remote Similarity | NPD5328 | Approved |
0.566 | Remote Similarity | NPD7333 | Discontinued |
0.5644 | Remote Similarity | NPD7839 | Suspended |
0.5638 | Remote Similarity | NPD4197 | Approved |
0.5638 | Remote Similarity | NPD3668 | Phase 3 |
0.5638 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5634 | Remote Similarity | NPD4265 | Approved |
0.5631 | Remote Similarity | NPD6648 | Approved |
0.5625 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD4096 | Approved |
0.5607 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
PubChem CID   | 73353712 |
ChEMBL   | CHEMBL2419337 |
ZINC   |
Molecular Weight:   | 252.17 |
ALogP:   | 1.6834 |
MLogP:   | 2.78 |
XLogP:   | 1.694 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 49.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 18 |