Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[9324945] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO6232 | Streptomyces griseus | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO10330 | Streptomyces coelicolor | Species | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT5260 | Protein Complex | Farnesyltransferase | Saccharomyces cerevisiae S288c | Kd | = | 75 | nM | 10.1016/S0960-894X(97)00373-9 |
NPT1664 | Individual Protein | Squalene synthetase | Rattus norvegicus | Ki | = | 2600 | nM | 2061928 |
NPT1180 | Protein Complex | Protein farnesyltransferase | Homo sapiens | Ratio | = | 2000000 | 1/Ms | 15341963 |
NPT1180 | Protein Complex | Protein farnesyltransferase | Homo sapiens | Kd | = | 2 | nM | 25530833 |
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 NPC221379 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 | NPC318549 |
0.8095 | Intermediate Similarity | NPC314888 |
0.7333 | Intermediate Similarity | NPC29091 |
0.7333 | Intermediate Similarity | NPC182840 |
0.7333 | Intermediate Similarity | NPC255042 |
0.7333 | Intermediate Similarity | NPC103213 |
0.7273 | Intermediate Similarity | NPC315093 |
0.7234 | Intermediate Similarity | NPC318351 |
0.7143 | Intermediate Similarity | NPC160628 |
0.7083 | Intermediate Similarity | NPC116934 |
0.7045 | Intermediate Similarity | NPC314319 |
0.7021 | Intermediate Similarity | NPC269823 |
0.6875 | Remote Similarity | NPC213538 |
0.6875 | Remote Similarity | NPC256766 |
0.68 | Remote Similarity | NPC140501 |
0.678 | Remote Similarity | NPC149682 |
0.66 | Remote Similarity | NPC12907 |
0.66 | Remote Similarity | NPC138935 |
0.6596 | Remote Similarity | NPC15934 |
0.6471 | Remote Similarity | NPC26600 |
0.6471 | Remote Similarity | NPC47946 |
0.6415 | Remote Similarity | NPC267110 |
0.6346 | Remote Similarity | NPC197467 |
0.6327 | Remote Similarity | NPC469713 |
0.6296 | Remote Similarity | NPC474460 |
0.6275 | Remote Similarity | NPC304079 |
0.6275 | Remote Similarity | NPC6963 |
0.625 | Remote Similarity | NPC277382 |
0.625 | Remote Similarity | NPC171978 |
0.62 | Remote Similarity | NPC304151 |
0.62 | Remote Similarity | NPC206906 |
0.6182 | Remote Similarity | NPC473672 |
0.6182 | Remote Similarity | NPC474495 |
0.6154 | Remote Similarity | NPC270706 |
0.6122 | Remote Similarity | NPC12319 |
0.6122 | Remote Similarity | NPC18205 |
0.6111 | Remote Similarity | NPC135698 |
0.6087 | Remote Similarity | NPC58957 |
0.6071 | Remote Similarity | NPC35756 |
0.6042 | Remote Similarity | NPC34873 |
0.6042 | Remote Similarity | NPC40434 |
0.6038 | Remote Similarity | NPC128280 |
0.6038 | Remote Similarity | NPC308331 |
0.6 | Remote Similarity | NPC236338 |
0.6 | Remote Similarity | NPC182102 |
0.6 | Remote Similarity | NPC26960 |
0.5965 | Remote Similarity | NPC474496 |
0.5893 | Remote Similarity | NPC244038 |
0.5882 | Remote Similarity | NPC180871 |
0.5882 | Remote Similarity | NPC67761 |
0.5882 | Remote Similarity | NPC68889 |
0.5882 | Remote Similarity | NPC88079 |
0.5882 | Remote Similarity | NPC108494 |
0.5882 | Remote Similarity | NPC51758 |
0.5882 | Remote Similarity | NPC209279 |
0.5882 | Remote Similarity | NPC194586 |
0.587 | Remote Similarity | NPC250734 |
0.5862 | Remote Similarity | NPC189677 |
0.5849 | Remote Similarity | NPC165651 |
0.5849 | Remote Similarity | NPC269074 |
0.5849 | Remote Similarity | NPC210560 |
0.5849 | Remote Similarity | NPC24824 |
0.5833 | Remote Similarity | NPC129150 |
0.5833 | Remote Similarity | NPC195109 |
0.5833 | Remote Similarity | NPC249850 |
0.5833 | Remote Similarity | NPC185839 |
0.5833 | Remote Similarity | NPC293437 |
0.5833 | Remote Similarity | NPC135863 |
0.5833 | Remote Similarity | NPC294938 |
0.5818 | Remote Similarity | NPC85079 |
0.5818 | Remote Similarity | NPC153538 |
0.5818 | Remote Similarity | NPC31194 |
0.5818 | Remote Similarity | NPC248884 |
0.58 | Remote Similarity | NPC56917 |
0.5769 | Remote Similarity | NPC106819 |
0.5741 | Remote Similarity | NPC124183 |
0.5741 | Remote Similarity | NPC35141 |
0.5741 | Remote Similarity | NPC180575 |
0.5738 | Remote Similarity | NPC254095 |
0.5738 | Remote Similarity | NPC223679 |
0.5738 | Remote Similarity | NPC21946 |
0.5735 | Remote Similarity | NPC324638 |
0.5714 | Remote Similarity | NPC328784 |
0.5714 | Remote Similarity | NPC180840 |
0.5714 | Remote Similarity | NPC288381 |
0.5714 | Remote Similarity | NPC291437 |
0.5714 | Remote Similarity | NPC225974 |
0.5714 | Remote Similarity | NPC72699 |
0.5714 | Remote Similarity | NPC20934 |
0.569 | Remote Similarity | NPC217188 |
0.5686 | Remote Similarity | NPC188596 |
0.5682 | Remote Similarity | NPC138113 |
0.5682 | Remote Similarity | NPC115959 |
0.5682 | Remote Similarity | NPC123965 |
0.5645 | Remote Similarity | NPC82465 |
0.5625 | Remote Similarity | NPC38497 |
0.5614 | Remote Similarity | NPC55383 |
0.5614 | Remote Similarity | NPC93639 |
0.5614 | Remote Similarity | NPC71053 |
0.5614 | Remote Similarity | NPC151782 |
0.5614 | Remote Similarity | NPC59408 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC221379 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 |
---|---|---|---|
0.8723 | High Similarity | NPD2268 | Discontinued |
0.7955 | Intermediate Similarity | NPD1153 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD4265 | Approved |
0.5968 | Remote Similarity | NPD6949 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD6927 | Phase 3 |
0.5818 | Remote Similarity | NPD4220 | Pre-registration |
0.5735 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD5783 | Phase 3 |
PubChem CID   | 445713 |
ChEMBL   | CHEMBL69330 |
ZINC   |
Molecular Weight:   | 382.13 |
ALogP:   | 3.3563 |
MLogP:   | 2.12 |
XLogP:   | 1.888 |
# Rotatable Bonds:   | 18 |
Polar Surface Area:   | 132.91 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 24 |