Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO4568 | Crossopetalum lobatum | Species | Celastraceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | IC50 | > | 10000 | ug/ml | 9461656 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | ug/ml | 9461656 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 10000 | ug/ml | 9461656 |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | IC50 | > | 10000 | ug/ml | 9461656 |
NPT41 | Individual Protein | Aldose reductase | Homo sapiens | IC50 | = | 12000 | ug/ml | 9461656 |
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 NPC290058 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 |
---|---|---|
0.9545 | High Similarity | NPC2568 |
0.9545 | High Similarity | NPC103647 |
0.9545 | High Similarity | NPC260319 |
0.9545 | High Similarity | NPC180777 |
0.9 | High Similarity | NPC477229 |
0.9 | High Similarity | NPC68426 |
0.9 | High Similarity | NPC282905 |
0.8873 | High Similarity | NPC130011 |
0.8873 | High Similarity | NPC159325 |
0.8873 | High Similarity | NPC168511 |
0.875 | High Similarity | NPC267753 |
0.8696 | High Similarity | NPC100917 |
0.8696 | High Similarity | NPC469724 |
0.8696 | High Similarity | NPC31187 |
0.8696 | High Similarity | NPC281203 |
0.863 | High Similarity | NPC108840 |
0.8472 | Intermediate Similarity | NPC81759 |
0.8429 | Intermediate Similarity | NPC474954 |
0.84 | Intermediate Similarity | NPC26029 |
0.8333 | Intermediate Similarity | NPC247195 |
0.8243 | Intermediate Similarity | NPC174964 |
0.8243 | Intermediate Similarity | NPC195155 |
0.8243 | Intermediate Similarity | NPC97534 |
0.8182 | Intermediate Similarity | NPC127798 |
0.8169 | Intermediate Similarity | NPC473225 |
0.8169 | Intermediate Similarity | NPC475977 |
0.8158 | Intermediate Similarity | NPC472608 |
0.8133 | Intermediate Similarity | NPC475742 |
0.8133 | Intermediate Similarity | NPC5767 |
0.8125 | Intermediate Similarity | NPC62572 |
0.8108 | Intermediate Similarity | NPC133922 |
0.8082 | Intermediate Similarity | NPC320549 |
0.8082 | Intermediate Similarity | NPC58057 |
0.8082 | Intermediate Similarity | NPC151018 |
0.8082 | Intermediate Similarity | NPC156277 |
0.8077 | Intermediate Similarity | NPC50658 |
0.8056 | Intermediate Similarity | NPC324607 |
0.8056 | Intermediate Similarity | NPC321732 |
0.8056 | Intermediate Similarity | NPC327728 |
0.8056 | Intermediate Similarity | NPC131892 |
0.8056 | Intermediate Similarity | NPC6120 |
0.8056 | Intermediate Similarity | NPC213178 |
0.8026 | Intermediate Similarity | NPC23884 |
0.8026 | Intermediate Similarity | NPC221420 |
0.8 | Intermediate Similarity | NPC472311 |
0.7975 | Intermediate Similarity | NPC30583 |
0.7973 | Intermediate Similarity | NPC232112 |
0.7973 | Intermediate Similarity | NPC310766 |
0.7973 | Intermediate Similarity | NPC475230 |
0.7945 | Intermediate Similarity | NPC476731 |
0.7945 | Intermediate Similarity | NPC108131 |
0.7922 | Intermediate Similarity | NPC31031 |
0.7922 | Intermediate Similarity | NPC243594 |
0.7917 | Intermediate Similarity | NPC470956 |
0.7867 | Intermediate Similarity | NPC254340 |
0.7867 | Intermediate Similarity | NPC472854 |
0.7848 | Intermediate Similarity | NPC3915 |
0.7848 | Intermediate Similarity | NPC476071 |
0.7848 | Intermediate Similarity | NPC280781 |
0.7848 | Intermediate Similarity | NPC48756 |
0.7838 | Intermediate Similarity | NPC473267 |
0.7838 | Intermediate Similarity | NPC89310 |
0.7821 | Intermediate Similarity | NPC201459 |
0.7808 | Intermediate Similarity | NPC476734 |
0.7808 | Intermediate Similarity | NPC252032 |
0.7808 | Intermediate Similarity | NPC469941 |
0.7808 | Intermediate Similarity | NPC319671 |
0.7792 | Intermediate Similarity | NPC143133 |
0.7792 | Intermediate Similarity | NPC112463 |
0.7792 | Intermediate Similarity | NPC298168 |
0.7778 | Intermediate Similarity | NPC34984 |
0.7778 | Intermediate Similarity | NPC25037 |
0.7778 | Intermediate Similarity | NPC472984 |
0.7778 | Intermediate Similarity | NPC105895 |
0.7763 | Intermediate Similarity | NPC125767 |
0.7763 | Intermediate Similarity | NPC273366 |
0.7763 | Intermediate Similarity | NPC21220 |
0.7763 | Intermediate Similarity | NPC179858 |
0.775 | Intermediate Similarity | NPC310989 |
0.7746 | Intermediate Similarity | NPC469791 |
0.7727 | Intermediate Similarity | NPC307063 |
0.7714 | Intermediate Similarity | NPC292419 |
0.7714 | Intermediate Similarity | NPC290791 |
0.7703 | Intermediate Similarity | NPC477929 |
0.7671 | Intermediate Similarity | NPC478228 |
0.7662 | Intermediate Similarity | NPC472486 |
0.7662 | Intermediate Similarity | NPC472487 |
0.7632 | Intermediate Similarity | NPC280026 |
0.7632 | Intermediate Similarity | NPC167702 |
0.7625 | Intermediate Similarity | NPC103754 |
0.7625 | Intermediate Similarity | NPC474870 |
0.7625 | Intermediate Similarity | NPC271572 |
0.7625 | Intermediate Similarity | NPC474484 |
0.76 | Intermediate Similarity | NPC472309 |
0.7595 | Intermediate Similarity | NPC472310 |
0.7568 | Intermediate Similarity | NPC178541 |
0.7564 | Intermediate Similarity | NPC472746 |
0.7564 | Intermediate Similarity | NPC149249 |
0.7564 | Intermediate Similarity | NPC264602 |
0.7564 | Intermediate Similarity | NPC475031 |
0.7561 | Intermediate Similarity | NPC180834 |
0.7534 | Intermediate Similarity | NPC204233 |
0.7532 | Intermediate Similarity | NPC212733 |
0.7532 | Intermediate Similarity | NPC159789 |
0.7532 | Intermediate Similarity | NPC27349 |
0.7532 | Intermediate Similarity | NPC24014 |
0.7531 | Intermediate Similarity | NPC61107 |
0.7531 | Intermediate Similarity | NPC289486 |
0.7531 | Intermediate Similarity | NPC328007 |
0.7471 | Intermediate Similarity | NPC472147 |
0.7471 | Intermediate Similarity | NPC472148 |
0.747 | Intermediate Similarity | NPC133954 |
0.747 | Intermediate Similarity | NPC274724 |
0.7468 | Intermediate Similarity | NPC185465 |
0.7467 | Intermediate Similarity | NPC477850 |
0.7439 | Intermediate Similarity | NPC269684 |
0.7439 | Intermediate Similarity | NPC472743 |
0.7439 | Intermediate Similarity | NPC475726 |
0.7439 | Intermediate Similarity | NPC175410 |
0.7436 | Intermediate Similarity | NPC4209 |
0.7432 | Intermediate Similarity | NPC475893 |
0.7432 | Intermediate Similarity | NPC469987 |
0.7407 | Intermediate Similarity | NPC328264 |
0.7403 | Intermediate Similarity | NPC477930 |
0.7397 | Intermediate Similarity | NPC42060 |
0.7381 | Intermediate Similarity | NPC74363 |
0.7381 | Intermediate Similarity | NPC187545 |
0.7381 | Intermediate Similarity | NPC213412 |
0.7381 | Intermediate Similarity | NPC475862 |
0.7381 | Intermediate Similarity | NPC471737 |
0.7381 | Intermediate Similarity | NPC158393 |
0.7375 | Intermediate Similarity | NPC320144 |
0.7375 | Intermediate Similarity | NPC476812 |
0.7375 | Intermediate Similarity | NPC52951 |
0.7368 | Intermediate Similarity | NPC478227 |
0.7368 | Intermediate Similarity | NPC469940 |
0.7349 | Intermediate Similarity | NPC474233 |
0.7349 | Intermediate Similarity | NPC474996 |
0.7349 | Intermediate Similarity | NPC474482 |
0.7349 | Intermediate Similarity | NPC219535 |
0.7349 | Intermediate Similarity | NPC475745 |
0.7349 | Intermediate Similarity | NPC237938 |
0.7342 | Intermediate Similarity | NPC477919 |
0.7342 | Intermediate Similarity | NPC476811 |
0.7342 | Intermediate Similarity | NPC180199 |
0.7342 | Intermediate Similarity | NPC106078 |
0.7342 | Intermediate Similarity | NPC207010 |
0.7342 | Intermediate Similarity | NPC477918 |
0.7342 | Intermediate Similarity | NPC317913 |
0.7333 | Intermediate Similarity | NPC474962 |
0.7333 | Intermediate Similarity | NPC64466 |
0.7317 | Intermediate Similarity | NPC268040 |
0.7297 | Intermediate Similarity | NPC41542 |
0.7294 | Intermediate Similarity | NPC158141 |
0.7294 | Intermediate Similarity | NPC73064 |
0.7294 | Intermediate Similarity | NPC173089 |
0.7284 | Intermediate Similarity | NPC470609 |
0.7284 | Intermediate Similarity | NPC261616 |
0.7284 | Intermediate Similarity | NPC18955 |
0.7273 | Intermediate Similarity | NPC36310 |
0.7262 | Intermediate Similarity | NPC201655 |
0.7262 | Intermediate Similarity | NPC292553 |
0.726 | Intermediate Similarity | NPC80463 |
0.726 | Intermediate Similarity | NPC260116 |
0.726 | Intermediate Similarity | NPC19311 |
0.726 | Intermediate Similarity | NPC230047 |
0.725 | Intermediate Similarity | NPC476810 |
0.725 | Intermediate Similarity | NPC80089 |
0.725 | Intermediate Similarity | NPC171426 |
0.725 | Intermediate Similarity | NPC324700 |
0.725 | Intermediate Similarity | NPC199965 |
0.725 | Intermediate Similarity | NPC224802 |
0.725 | Intermediate Similarity | NPC476732 |
0.725 | Intermediate Similarity | NPC34046 |
0.7241 | Intermediate Similarity | NPC252737 |
0.7229 | Intermediate Similarity | NPC472744 |
0.7215 | Intermediate Similarity | NPC477932 |
0.7215 | Intermediate Similarity | NPC477933 |
0.7209 | Intermediate Similarity | NPC474474 |
0.7209 | Intermediate Similarity | NPC474511 |
0.7209 | Intermediate Similarity | NPC230387 |
0.7209 | Intermediate Similarity | NPC1753 |
0.7195 | Intermediate Similarity | NPC267691 |
0.7195 | Intermediate Similarity | NPC274050 |
0.7195 | Intermediate Similarity | NPC162632 |
0.7195 | Intermediate Similarity | NPC469745 |
0.7195 | Intermediate Similarity | NPC263272 |
0.7179 | Intermediate Similarity | NPC255168 |
0.7179 | Intermediate Similarity | NPC162164 |
0.7176 | Intermediate Similarity | NPC248216 |
0.7176 | Intermediate Similarity | NPC83242 |
0.7176 | Intermediate Similarity | NPC120395 |
0.7176 | Intermediate Similarity | NPC472738 |
0.7176 | Intermediate Similarity | NPC56588 |
0.7176 | Intermediate Similarity | NPC72638 |
0.7176 | Intermediate Similarity | NPC477579 |
0.7176 | Intermediate Similarity | NPC235341 |
0.7176 | Intermediate Similarity | NPC95594 |
0.7162 | Intermediate Similarity | NPC268736 |
0.7162 | Intermediate Similarity | NPC142712 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC290058 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 |
---|---|---|---|
0.8194 | Intermediate Similarity | NPD4244 | Approved |
0.8194 | Intermediate Similarity | NPD4789 | Approved |
0.8194 | Intermediate Similarity | NPD4245 | Approved |
0.8082 | Intermediate Similarity | NPD4808 | Clinical (unspecified phase) |
0.8082 | Intermediate Similarity | NPD4809 | Clinical (unspecified phase) |
0.8056 | Intermediate Similarity | NPD3699 | Clinical (unspecified phase) |
0.8056 | Intermediate Similarity | NPD3698 | Phase 2 |
0.8056 | Intermediate Similarity | NPD3700 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD3171 | Clinical (unspecified phase) |
0.7838 | Intermediate Similarity | NPD6081 | Approved |
0.7671 | Intermediate Similarity | NPD5360 | Phase 3 |
0.7671 | Intermediate Similarity | NPD5361 | Clinical (unspecified phase) |
0.7639 | Intermediate Similarity | NPD4224 | Phase 2 |
0.7632 | Intermediate Similarity | NPD6113 | Clinical (unspecified phase) |
0.7532 | Intermediate Similarity | NPD3703 | Phase 2 |
0.7436 | Intermediate Similarity | NPD6117 | Approved |
0.7342 | Intermediate Similarity | NPD6116 | Phase 1 |
0.725 | Intermediate Similarity | NPD6115 | Approved |
0.725 | Intermediate Similarity | NPD6697 | Approved |
0.725 | Intermediate Similarity | NPD6114 | Approved |
0.725 | Intermediate Similarity | NPD6118 | Approved |
0.725 | Intermediate Similarity | NPD3671 | Phase 1 |
0.7143 | Intermediate Similarity | NPD5777 | Approved |
0.7143 | Intermediate Similarity | NPD4758 | Discontinued |
0.7059 | Intermediate Similarity | NPD7520 | Clinical (unspecified phase) |
0.7024 | Intermediate Similarity | NPD4788 | Approved |
0.6966 | Remote Similarity | NPD7515 | Phase 2 |
0.6875 | Remote Similarity | NPD3702 | Approved |
0.6829 | Remote Similarity | NPD5364 | Discontinued |
0.6744 | Remote Similarity | NPD4786 | Approved |
0.6706 | Remote Similarity | NPD3667 | Approved |
0.663 | Remote Similarity | NPD7748 | Approved |
0.6552 | Remote Similarity | NPD3666 | Approved |
0.6552 | Remote Similarity | NPD3133 | Approved |
0.6552 | Remote Similarity | NPD3665 | Phase 1 |
0.6456 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD3617 | Approved |
0.6421 | Remote Similarity | NPD7902 | Approved |
0.6413 | Remote Similarity | NPD8034 | Phase 2 |
0.6413 | Remote Similarity | NPD8035 | Phase 2 |
0.6404 | Remote Similarity | NPD3618 | Phase 1 |
0.6375 | Remote Similarity | NPD4787 | Phase 1 |
0.6374 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.6374 | Remote Similarity | NPD5328 | Approved |
0.6353 | Remote Similarity | NPD7645 | Phase 2 |
0.6338 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6338 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD7614 | Phase 1 |
0.6237 | Remote Similarity | NPD6079 | Approved |
0.6211 | Remote Similarity | NPD5210 | Approved |
0.6211 | Remote Similarity | NPD4629 | Approved |
0.6196 | Remote Similarity | NPD4753 | Phase 2 |
0.6139 | Remote Similarity | NPD6920 | Discontinued |
0.6136 | Remote Similarity | NPD4223 | Phase 3 |
0.6136 | Remote Similarity | NPD4221 | Approved |
0.6133 | Remote Similarity | NPD3198 | Approved |
0.6111 | Remote Similarity | NPD5329 | Approved |
0.6105 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.6105 | Remote Similarity | NPD7900 | Approved |
0.6092 | Remote Similarity | NPD4695 | Discontinued |
0.6087 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6044 | Remote Similarity | NPD5279 | Phase 3 |
0.604 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6026 | Remote Similarity | NPD7909 | Approved |
0.6023 | Remote Similarity | NPD4692 | Approved |
0.6023 | Remote Similarity | NPD4139 | Approved |
0.6 | Remote Similarity | NPD4197 | Approved |
0.6 | Remote Similarity | NPD4202 | Approved |
0.6 | Remote Similarity | NPD3668 | Phase 3 |
0.6 | Remote Similarity | NPD6399 | Phase 3 |
0.5979 | Remote Similarity | NPD7732 | Phase 3 |
0.5926 | Remote Similarity | NPD6705 | Phase 1 |
0.5918 | Remote Similarity | NPD6084 | Phase 2 |
0.5918 | Remote Similarity | NPD6083 | Phase 2 |
0.5909 | Remote Similarity | NPD6928 | Phase 2 |
0.587 | Remote Similarity | NPD4138 | Approved |
0.587 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD6684 | Approved |
0.587 | Remote Similarity | NPD5330 | Approved |
0.587 | Remote Similarity | NPD4688 | Approved |
0.587 | Remote Similarity | NPD7146 | Approved |
0.587 | Remote Similarity | NPD4690 | Approved |
0.587 | Remote Similarity | NPD6409 | Approved |
0.587 | Remote Similarity | NPD4693 | Phase 3 |
0.587 | Remote Similarity | NPD4519 | Discontinued |
0.587 | Remote Similarity | NPD4623 | Approved |
0.587 | Remote Similarity | NPD7334 | Approved |
0.587 | Remote Similarity | NPD5205 | Approved |
0.587 | Remote Similarity | NPD4689 | Approved |
0.587 | Remote Similarity | NPD7521 | Approved |
0.5859 | Remote Similarity | NPD5696 | Approved |
0.5816 | Remote Similarity | NPD4697 | Phase 3 |
0.5816 | Remote Similarity | NPD5221 | Approved |
0.5816 | Remote Similarity | NPD5222 | Approved |
0.5816 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD8418 | Phase 2 |
0.5797 | Remote Similarity | NPD385 | Approved |
0.5797 | Remote Similarity | NPD384 | Approved |
0.5758 | Remote Similarity | NPD4755 | Approved |
0.5758 | Remote Similarity | NPD5173 | Approved |
0.5745 | Remote Similarity | NPD6672 | Approved |
0.5745 | Remote Similarity | NPD6903 | Approved |
0.5745 | Remote Similarity | NPD5737 | Approved |
0.573 | Remote Similarity | NPD7525 | Registered |
0.5714 | Remote Similarity | NPD6415 | Discontinued |
0.5699 | Remote Similarity | NPD4694 | Approved |
0.5699 | Remote Similarity | NPD5280 | Approved |
0.5699 | Remote Similarity | NPD5690 | Phase 2 |
0.5698 | Remote Similarity | NPD6942 | Approved |
0.5698 | Remote Similarity | NPD7339 | Approved |
0.5682 | Remote Similarity | NPD4776 | Phase 2 |
0.5682 | Remote Similarity | NPD4777 | Suspended |
0.5663 | Remote Similarity | NPD3726 | Approved |
0.5663 | Remote Similarity | NPD3725 | Approved |
0.566 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD634 | Phase 3 |
0.5644 | Remote Similarity | NPD4700 | Approved |
0.5644 | Remote Similarity | NPD5286 | Approved |
0.5644 | Remote Similarity | NPD5285 | Approved |
0.5644 | Remote Similarity | NPD4696 | Approved |
0.5632 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5619 | Remote Similarity | NPD6412 | Phase 2 |
0.5616 | Remote Similarity | NPD3186 | Phase 1 |
PubChem CID   | 10389369 |
ChEMBL   | CHEMBL464094 |
ZINC   |
Molecular Weight:   | 456.36 |
ALogP:   | 1.5936 |
MLogP:   | 4.43 |
XLogP:   | 8.75 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 54.37 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 33 |