Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[22664055] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[12231118] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT957 | Individual Protein | Multidrug resistance-associated protein 7 | Homo sapiens | Activity | = | 41.8 | % | 12527806 |
NPT2850 | Individual Protein | Multidrug resistance associated protein | Homo sapiens | Activity | = | 29 | % | 12220224 |
NPT1028 | Individual Protein | Multidrug resistance-associated protein 4 | Homo sapiens | IC50 | = | 10000 | nM | 12523936 |
NPT1594 | Individual Protein | Multidrug resistance-associated protein 1 | Homo sapiens | Ki | = | 1400 | nM | 8621644 |
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 NPC323958 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 |
---|---|---|
0.9383 | High Similarity | NPC323180 |
0.9268 | High Similarity | NPC175419 |
0.9048 | High Similarity | NPC321340 |
0.9048 | High Similarity | NPC171698 |
0.9048 | High Similarity | NPC270957 |
0.9048 | High Similarity | NPC119633 |
0.8295 | Intermediate Similarity | NPC320478 |
0.8202 | Intermediate Similarity | NPC283751 |
0.8202 | Intermediate Similarity | NPC317363 |
0.8022 | Intermediate Similarity | NPC159390 |
0.8022 | Intermediate Similarity | NPC133995 |
0.8022 | Intermediate Similarity | NPC247891 |
0.7882 | Intermediate Similarity | NPC329117 |
0.7614 | Intermediate Similarity | NPC192456 |
0.7326 | Intermediate Similarity | NPC478105 |
0.7241 | Intermediate Similarity | NPC4209 |
0.7209 | Intermediate Similarity | NPC167702 |
0.7209 | Intermediate Similarity | NPC280026 |
0.7176 | Intermediate Similarity | NPC478103 |
0.7159 | Intermediate Similarity | NPC317913 |
0.7159 | Intermediate Similarity | NPC207010 |
0.7159 | Intermediate Similarity | NPC212453 |
0.7126 | Intermediate Similarity | NPC212733 |
0.7115 | Intermediate Similarity | NPC478053 |
0.7079 | Intermediate Similarity | NPC185465 |
0.7079 | Intermediate Similarity | NPC171426 |
0.7079 | Intermediate Similarity | NPC34046 |
0.7079 | Intermediate Similarity | NPC80089 |
0.7079 | Intermediate Similarity | NPC324700 |
0.7079 | Intermediate Similarity | NPC224802 |
0.7073 | Intermediate Similarity | NPC477603 |
0.7037 | Intermediate Similarity | NPC114891 |
0.7011 | Intermediate Similarity | NPC478130 |
0.7 | Intermediate Similarity | NPC476176 |
0.7 | Intermediate Similarity | NPC320144 |
0.7 | Intermediate Similarity | NPC80891 |
0.7 | Intermediate Similarity | NPC201276 |
0.7 | Intermediate Similarity | NPC220379 |
0.6979 | Remote Similarity | NPC271974 |
0.6979 | Remote Similarity | NPC247312 |
0.6977 | Remote Similarity | NPC126642 |
0.6966 | Remote Similarity | NPC298168 |
0.6966 | Remote Similarity | NPC143133 |
0.6923 | Remote Similarity | NPC261616 |
0.6914 | Remote Similarity | NPC218585 |
0.6914 | Remote Similarity | NPC71460 |
0.6914 | Remote Similarity | NPC148174 |
0.6905 | Remote Similarity | NPC475172 |
0.6889 | Remote Similarity | NPC471045 |
0.6857 | Remote Similarity | NPC258130 |
0.6854 | Remote Similarity | NPC473916 |
0.6854 | Remote Similarity | NPC477601 |
0.6854 | Remote Similarity | NPC477602 |
0.6848 | Remote Similarity | NPC12933 |
0.6848 | Remote Similarity | NPC73515 |
0.6848 | Remote Similarity | NPC109533 |
0.6848 | Remote Similarity | NPC190940 |
0.6786 | Remote Similarity | NPC142712 |
0.6782 | Remote Similarity | NPC156277 |
0.6782 | Remote Similarity | NPC469940 |
0.6782 | Remote Similarity | NPC320549 |
0.6782 | Remote Similarity | NPC151018 |
0.6782 | Remote Similarity | NPC58057 |
0.6778 | Remote Similarity | NPC171658 |
0.6774 | Remote Similarity | NPC30583 |
0.6774 | Remote Similarity | NPC121121 |
0.6774 | Remote Similarity | NPC60018 |
0.6774 | Remote Similarity | NPC289486 |
0.6774 | Remote Similarity | NPC61107 |
0.6774 | Remote Similarity | NPC477286 |
0.6774 | Remote Similarity | NPC154043 |
0.6774 | Remote Similarity | NPC202688 |
0.6774 | Remote Similarity | NPC286719 |
0.6747 | Remote Similarity | NPC69149 |
0.6747 | Remote Similarity | NPC281540 |
0.6747 | Remote Similarity | NPC118937 |
0.6747 | Remote Similarity | NPC159654 |
0.6747 | Remote Similarity | NPC167995 |
0.6744 | Remote Similarity | NPC252032 |
0.6744 | Remote Similarity | NPC107919 |
0.6744 | Remote Similarity | NPC476734 |
0.6744 | Remote Similarity | NPC469941 |
0.6744 | Remote Similarity | NPC319671 |
0.6744 | Remote Similarity | NPC66407 |
0.6742 | Remote Similarity | NPC186851 |
0.6739 | Remote Similarity | NPC206735 |
0.6706 | Remote Similarity | NPC48079 |
0.6706 | Remote Similarity | NPC473230 |
0.6706 | Remote Similarity | NPC475884 |
0.6705 | Remote Similarity | NPC232112 |
0.6702 | Remote Similarity | NPC477285 |
0.6702 | Remote Similarity | NPC246956 |
0.6702 | Remote Similarity | NPC111582 |
0.6698 | Remote Similarity | NPC36497 |
0.6667 | Remote Similarity | NPC41577 |
0.6667 | Remote Similarity | NPC232925 |
0.6667 | Remote Similarity | NPC63588 |
0.6667 | Remote Similarity | NPC58631 |
0.6667 | Remote Similarity | NPC251201 |
0.6667 | Remote Similarity | NPC473276 |
0.6667 | Remote Similarity | NPC192192 |
0.6667 | Remote Similarity | NPC473537 |
0.6667 | Remote Similarity | NPC474380 |
0.6667 | Remote Similarity | NPC477929 |
0.6632 | Remote Similarity | NPC319909 |
0.6632 | Remote Similarity | NPC473336 |
0.6632 | Remote Similarity | NPC471044 |
0.663 | Remote Similarity | NPC52951 |
0.6629 | Remote Similarity | NPC472945 |
0.6629 | Remote Similarity | NPC472944 |
0.6629 | Remote Similarity | NPC254340 |
0.6629 | Remote Similarity | NPC74639 |
0.6629 | Remote Similarity | NPC272359 |
0.6629 | Remote Similarity | NPC477930 |
0.6628 | Remote Similarity | NPC472741 |
0.6607 | Remote Similarity | NPC165396 |
0.6602 | Remote Similarity | NPC252564 |
0.6602 | Remote Similarity | NPC475249 |
0.6593 | Remote Similarity | NPC477918 |
0.6593 | Remote Similarity | NPC477919 |
0.6593 | Remote Similarity | NPC180199 |
0.6591 | Remote Similarity | NPC252182 |
0.6591 | Remote Similarity | NPC473552 |
0.6591 | Remote Similarity | NPC100586 |
0.6591 | Remote Similarity | NPC477822 |
0.6591 | Remote Similarity | NPC127094 |
0.6591 | Remote Similarity | NPC324984 |
0.6591 | Remote Similarity | NPC323900 |
0.6591 | Remote Similarity | NPC477823 |
0.6591 | Remote Similarity | NPC109457 |
0.6591 | Remote Similarity | NPC187471 |
0.6591 | Remote Similarity | NPC477821 |
0.6591 | Remote Similarity | NPC470071 |
0.6591 | Remote Similarity | NPC1340 |
0.6591 | Remote Similarity | NPC157422 |
0.6588 | Remote Similarity | NPC44122 |
0.6588 | Remote Similarity | NPC42060 |
0.6588 | Remote Similarity | NPC477931 |
0.6588 | Remote Similarity | NPC268736 |
0.6577 | Remote Similarity | NPC106479 |
0.6566 | Remote Similarity | NPC312637 |
0.6562 | Remote Similarity | NPC266651 |
0.6559 | Remote Similarity | NPC477851 |
0.6559 | Remote Similarity | NPC474714 |
0.6556 | Remote Similarity | NPC472311 |
0.6556 | Remote Similarity | NPC97534 |
0.6556 | Remote Similarity | NPC477934 |
0.6556 | Remote Similarity | NPC273366 |
0.6556 | Remote Similarity | NPC174964 |
0.6556 | Remote Similarity | NPC195155 |
0.6552 | Remote Similarity | NPC129829 |
0.6552 | Remote Similarity | NPC6120 |
0.6552 | Remote Similarity | NPC64466 |
0.6552 | Remote Similarity | NPC213178 |
0.6552 | Remote Similarity | NPC254037 |
0.6552 | Remote Similarity | NPC196197 |
0.6552 | Remote Similarity | NPC470830 |
0.6552 | Remote Similarity | NPC477820 |
0.6552 | Remote Similarity | NPC327728 |
0.6552 | Remote Similarity | NPC299948 |
0.6552 | Remote Similarity | NPC131892 |
0.6552 | Remote Similarity | NPC241085 |
0.6549 | Remote Similarity | NPC471120 |
0.6549 | Remote Similarity | NPC471117 |
0.6545 | Remote Similarity | NPC66862 |
0.6543 | Remote Similarity | NPC476735 |
0.6538 | Remote Similarity | NPC201712 |
0.6526 | Remote Similarity | NPC5280 |
0.6526 | Remote Similarity | NPC15821 |
0.6522 | Remote Similarity | NPC199965 |
0.6522 | Remote Similarity | NPC476732 |
0.6522 | Remote Similarity | NPC478128 |
0.6517 | Remote Similarity | NPC153719 |
0.6517 | Remote Similarity | NPC470610 |
0.6512 | Remote Similarity | NPC476928 |
0.6505 | Remote Similarity | NPC240650 |
0.6495 | Remote Similarity | NPC103782 |
0.6495 | Remote Similarity | NPC114378 |
0.6495 | Remote Similarity | NPC168231 |
0.6495 | Remote Similarity | NPC155531 |
0.6495 | Remote Similarity | NPC472272 |
0.6495 | Remote Similarity | NPC477283 |
0.6495 | Remote Similarity | NPC215968 |
0.6495 | Remote Similarity | NPC302111 |
0.6495 | Remote Similarity | NPC2783 |
0.6491 | Remote Similarity | NPC471118 |
0.6491 | Remote Similarity | NPC471121 |
0.6484 | Remote Similarity | NPC477933 |
0.6484 | Remote Similarity | NPC472486 |
0.6484 | Remote Similarity | NPC472487 |
0.6484 | Remote Similarity | NPC477932 |
0.6484 | Remote Similarity | NPC475742 |
0.6484 | Remote Similarity | NPC5767 |
0.6477 | Remote Similarity | NPC282454 |
0.6477 | Remote Similarity | NPC108131 |
0.6477 | Remote Similarity | NPC477850 |
0.6477 | Remote Similarity | NPC231945 |
0.6476 | Remote Similarity | NPC475518 |
0.6458 | Remote Similarity | NPC299963 |
0.6455 | Remote Similarity | NPC72753 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC323958 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 |
---|---|---|---|
0.8022 | Intermediate Similarity | NPD6700 | Approved |
0.8022 | Intermediate Similarity | NPD6701 | Clinical (unspecified phase) |
0.7742 | Intermediate Similarity | NPD6703 | Approved |
0.7742 | Intermediate Similarity | NPD6702 | Approved |
0.7551 | Intermediate Similarity | NPD8418 | Phase 2 |
0.7241 | Intermediate Similarity | NPD6117 | Approved |
0.7209 | Intermediate Similarity | NPD6113 | Clinical (unspecified phase) |
0.7159 | Intermediate Similarity | NPD6116 | Phase 1 |
0.7079 | Intermediate Similarity | NPD6114 | Approved |
0.7079 | Intermediate Similarity | NPD6697 | Approved |
0.7079 | Intermediate Similarity | NPD6115 | Approved |
0.7079 | Intermediate Similarity | NPD6118 | Approved |
0.7037 | Intermediate Similarity | NPD8298 | Phase 2 |
0.6824 | Remote Similarity | NPD6705 | Phase 1 |
0.6782 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6782 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6744 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7920 | Phase 3 |
0.6667 | Remote Similarity | NPD7919 | Phase 3 |
0.6602 | Remote Similarity | NPD8088 | Phase 1 |
0.6591 | Remote Similarity | NPD6081 | Approved |
0.6552 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6552 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD5364 | Discontinued |
0.6477 | Remote Similarity | NPD4787 | Phase 1 |
0.6437 | Remote Similarity | NPD5360 | Phase 3 |
0.6437 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6395 | Remote Similarity | NPD4224 | Phase 2 |
0.6392 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.633 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.6311 | Remote Similarity | NPD7991 | Discontinued |
0.6292 | Remote Similarity | NPD4244 | Approved |
0.6292 | Remote Similarity | NPD4245 | Approved |
0.6292 | Remote Similarity | NPD4789 | Approved |
0.6222 | Remote Similarity | NPD5777 | Approved |
0.6196 | Remote Similarity | NPD3702 | Approved |
0.6196 | Remote Similarity | NPD3703 | Phase 2 |
0.618 | Remote Similarity | NPD3698 | Phase 2 |
0.6176 | Remote Similarity | NPD8035 | Phase 2 |
0.6176 | Remote Similarity | NPD8034 | Phase 2 |
0.6126 | Remote Similarity | NPD8174 | Phase 2 |
0.6092 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6091 | Remote Similarity | NPD6920 | Discontinued |
0.6064 | Remote Similarity | NPD8143 | Approved |
0.6064 | Remote Similarity | NPD8144 | Approved |
0.6055 | Remote Similarity | NPD7986 | Approved |
0.6055 | Remote Similarity | NPD7912 | Approved |
0.6055 | Remote Similarity | NPD7911 | Approved |
0.6055 | Remote Similarity | NPD7987 | Approved |
0.6044 | Remote Similarity | NPD4758 | Discontinued |
0.6042 | Remote Similarity | NPD6928 | Phase 2 |
0.6042 | Remote Similarity | NPD7525 | Registered |
0.6 | Remote Similarity | NPD4776 | Phase 2 |
0.6 | Remote Similarity | NPD3671 | Phase 1 |
0.6 | Remote Similarity | NPD8308 | Discontinued |
0.6 | Remote Similarity | NPD4777 | Suspended |
0.5946 | Remote Similarity | NPD8040 | Discontinued |
0.5938 | Remote Similarity | NPD5354 | Approved |
0.5897 | Remote Similarity | NPD7754 | Approved |
0.5897 | Remote Similarity | NPD7755 | Approved |
0.5893 | Remote Similarity | NPD7989 | Approved |
0.5893 | Remote Similarity | NPD7990 | Approved |
0.5841 | Remote Similarity | NPD6415 | Discontinued |
0.581 | Remote Similarity | NPD6399 | Phase 3 |
0.58 | Remote Similarity | NPD3668 | Phase 3 |
0.5785 | Remote Similarity | NPD6909 | Approved |
0.5785 | Remote Similarity | NPD6908 | Approved |
0.578 | Remote Similarity | NPD6404 | Discontinued |
0.5755 | Remote Similarity | NPD5771 | Approved |
0.5714 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD3187 | Discontinued |
0.5688 | Remote Similarity | NPD7638 | Approved |
0.5684 | Remote Similarity | NPD7339 | Approved |
0.5684 | Remote Similarity | NPD6942 | Approved |
0.5667 | Remote Similarity | NPD2263 | Discontinued |
0.566 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD3725 | Approved |
0.5652 | Remote Similarity | NPD3726 | Approved |
0.5644 | Remote Similarity | NPD4786 | Approved |
0.5641 | Remote Similarity | NPD8078 | Approved |
0.5641 | Remote Similarity | NPD8077 | Approved |
0.5636 | Remote Similarity | NPD7640 | Approved |
0.5636 | Remote Similarity | NPD7639 | Approved |
0.5607 | Remote Similarity | NPD5707 | Approved |
PubChem CID   | 72222 |
ChEMBL   | CHEMBL2074584 |
ZINC   |
Molecular Weight:   | 513.28 |
ALogP:   | 0.5408 |
MLogP:   | 3.33 |
XLogP:   | 6.21 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 141.87 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 3 |
# Rings:   | 4 |
# Heavy Atoms:   | 35 |