Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid | 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 | DOI[10.1038/nbt.2488] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[5472370] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT317 | Uncleic Acid | Nucleic Acid | Kd | > | 1000000 | nM | 17143270 | |
NPT2709 | Organism | Bacillus subtilis subsp. subtilis str. 168 | Bacillus subtilis subsp. subtilis str. 168 | MIC | > | 5000000 | nM | 17143270 |
NPT705 | Individual Protein | Solute carrier family 22 member 5 | Homo sapiens | Activity | = | 69 | % | 10525100 |
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 NPC278209 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 |
---|---|---|
0.875 | High Similarity | NPC176164 |
0.875 | High Similarity | NPC189301 |
0.8654 | High Similarity | NPC324825 |
0.8654 | High Similarity | NPC316231 |
0.8654 | High Similarity | NPC112890 |
0.8596 | High Similarity | NPC254541 |
0.8276 | Intermediate Similarity | NPC320598 |
0.7966 | Intermediate Similarity | NPC268927 |
0.7966 | Intermediate Similarity | NPC64250 |
0.7966 | Intermediate Similarity | NPC276928 |
0.7903 | Intermediate Similarity | NPC278881 |
0.7885 | Intermediate Similarity | NPC327698 |
0.7885 | Intermediate Similarity | NPC118459 |
0.7778 | Intermediate Similarity | NPC140872 |
0.7778 | Intermediate Similarity | NPC93081 |
0.7719 | Intermediate Similarity | NPC279661 |
0.7719 | Intermediate Similarity | NPC183845 |
0.7692 | Intermediate Similarity | NPC323974 |
0.75 | Intermediate Similarity | NPC50457 |
0.7424 | Intermediate Similarity | NPC133183 |
0.7377 | Intermediate Similarity | NPC327748 |
0.7377 | Intermediate Similarity | NPC316826 |
0.7377 | Intermediate Similarity | NPC317143 |
0.7377 | Intermediate Similarity | NPC321468 |
0.7333 | Intermediate Similarity | NPC317147 |
0.7333 | Intermediate Similarity | NPC318260 |
0.7321 | Intermediate Similarity | NPC226027 |
0.7321 | Intermediate Similarity | NPC162620 |
0.7321 | Intermediate Similarity | NPC43204 |
0.7321 | Intermediate Similarity | NPC62045 |
0.7321 | Intermediate Similarity | NPC174246 |
0.7321 | Intermediate Similarity | NPC245027 |
0.7321 | Intermediate Similarity | NPC84636 |
0.7258 | Intermediate Similarity | NPC68974 |
0.7258 | Intermediate Similarity | NPC327170 |
0.7258 | Intermediate Similarity | NPC329564 |
0.7213 | Intermediate Similarity | NPC302003 |
0.7213 | Intermediate Similarity | NPC11433 |
0.7213 | Intermediate Similarity | NPC245346 |
0.7188 | Intermediate Similarity | NPC315744 |
0.7188 | Intermediate Similarity | NPC57420 |
0.7167 | Intermediate Similarity | NPC38463 |
0.7164 | Intermediate Similarity | NPC322274 |
0.7143 | Intermediate Similarity | NPC118429 |
0.7115 | Intermediate Similarity | NPC121517 |
0.7115 | Intermediate Similarity | NPC326992 |
0.7115 | Intermediate Similarity | NPC168375 |
0.7101 | Intermediate Similarity | NPC315897 |
0.7097 | Intermediate Similarity | NPC321536 |
0.7015 | Intermediate Similarity | NPC107224 |
0.6984 | Remote Similarity | NPC177191 |
0.6984 | Remote Similarity | NPC143722 |
0.6949 | Remote Similarity | NPC190184 |
0.6949 | Remote Similarity | NPC197087 |
0.6923 | Remote Similarity | NPC226453 |
0.6923 | Remote Similarity | NPC103130 |
0.6912 | Remote Similarity | NPC15864 |
0.6909 | Remote Similarity | NPC329263 |
0.6901 | Remote Similarity | NPC327272 |
0.6897 | Remote Similarity | NPC137958 |
0.6897 | Remote Similarity | NPC273330 |
0.6885 | Remote Similarity | NPC325985 |
0.6852 | Remote Similarity | NPC291186 |
0.6852 | Remote Similarity | NPC167986 |
0.6852 | Remote Similarity | NPC276294 |
0.6833 | Remote Similarity | NPC316889 |
0.6833 | Remote Similarity | NPC321118 |
0.6818 | Remote Similarity | NPC472609 |
0.678 | Remote Similarity | NPC155512 |
0.6761 | Remote Similarity | NPC320221 |
0.6727 | Remote Similarity | NPC198301 |
0.6727 | Remote Similarity | NPC126925 |
0.6727 | Remote Similarity | NPC132307 |
0.6727 | Remote Similarity | NPC325097 |
0.6724 | Remote Similarity | NPC17244 |
0.6721 | Remote Similarity | NPC322573 |
0.6721 | Remote Similarity | NPC2801 |
0.6716 | Remote Similarity | NPC327985 |
0.6716 | Remote Similarity | NPC287693 |
0.6714 | Remote Similarity | NPC328457 |
0.662 | Remote Similarity | NPC185084 |
0.6618 | Remote Similarity | NPC314221 |
0.6618 | Remote Similarity | NPC60424 |
0.661 | Remote Similarity | NPC125736 |
0.6567 | Remote Similarity | NPC174304 |
0.6567 | Remote Similarity | NPC325597 |
0.65 | Remote Similarity | NPC322946 |
0.6491 | Remote Similarity | NPC297220 |
0.6481 | Remote Similarity | NPC66043 |
0.6481 | Remote Similarity | NPC53449 |
0.6479 | Remote Similarity | NPC306973 |
0.6471 | Remote Similarity | NPC325534 |
0.6441 | Remote Similarity | NPC328378 |
0.6418 | Remote Similarity | NPC289691 |
0.6406 | Remote Similarity | NPC319279 |
0.6406 | Remote Similarity | NPC190385 |
0.6393 | Remote Similarity | NPC333075 |
0.6393 | Remote Similarity | NPC8488 |
0.6393 | Remote Similarity | NPC274499 |
0.6389 | Remote Similarity | NPC55274 |
0.6379 | Remote Similarity | NPC136159 |
0.6379 | Remote Similarity | NPC101249 |
0.6377 | Remote Similarity | NPC221764 |
0.6377 | Remote Similarity | NPC196359 |
0.6377 | Remote Similarity | NPC188231 |
0.6377 | Remote Similarity | NPC222327 |
0.6377 | Remote Similarity | NPC135539 |
0.6377 | Remote Similarity | NPC78312 |
0.6346 | Remote Similarity | NPC272614 |
0.6346 | Remote Similarity | NPC116709 |
0.6346 | Remote Similarity | NPC21290 |
0.6301 | Remote Similarity | NPC208657 |
0.6286 | Remote Similarity | NPC319046 |
0.6271 | Remote Similarity | NPC153370 |
0.6232 | Remote Similarity | NPC470108 |
0.623 | Remote Similarity | NPC155156 |
0.623 | Remote Similarity | NPC200550 |
0.6212 | Remote Similarity | NPC321419 |
0.6207 | Remote Similarity | NPC136476 |
0.6207 | Remote Similarity | NPC49952 |
0.6197 | Remote Similarity | NPC126779 |
0.619 | Remote Similarity | NPC327831 |
0.6182 | Remote Similarity | NPC326212 |
0.6182 | Remote Similarity | NPC237525 |
0.6167 | Remote Similarity | NPC93888 |
0.6167 | Remote Similarity | NPC170739 |
0.6167 | Remote Similarity | NPC152451 |
0.6167 | Remote Similarity | NPC193989 |
0.6167 | Remote Similarity | NPC270805 |
0.6143 | Remote Similarity | NPC470109 |
0.6129 | Remote Similarity | NPC189178 |
0.6129 | Remote Similarity | NPC263065 |
0.6129 | Remote Similarity | NPC474322 |
0.6119 | Remote Similarity | NPC302188 |
0.6111 | Remote Similarity | NPC18188 |
0.6087 | Remote Similarity | NPC160661 |
0.6066 | Remote Similarity | NPC315977 |
0.6056 | Remote Similarity | NPC470110 |
0.6034 | Remote Similarity | NPC208793 |
0.6034 | Remote Similarity | NPC285322 |
0.6029 | Remote Similarity | NPC327252 |
0.6 | Remote Similarity | NPC121062 |
0.6 | Remote Similarity | NPC29222 |
0.6 | Remote Similarity | NPC96966 |
0.5976 | Remote Similarity | NPC69374 |
0.5976 | Remote Similarity | NPC90476 |
0.5974 | Remote Similarity | NPC37681 |
0.5968 | Remote Similarity | NPC202525 |
0.5949 | Remote Similarity | NPC219340 |
0.5938 | Remote Similarity | NPC10915 |
0.5932 | Remote Similarity | NPC309658 |
0.5932 | Remote Similarity | NPC185755 |
0.5932 | Remote Similarity | NPC213876 |
0.5926 | Remote Similarity | NPC63621 |
0.5926 | Remote Similarity | NPC199072 |
0.5909 | Remote Similarity | NPC117829 |
0.5882 | Remote Similarity | NPC477644 |
0.5882 | Remote Similarity | NPC322206 |
0.5875 | Remote Similarity | NPC53858 |
0.5875 | Remote Similarity | NPC84128 |
0.5873 | Remote Similarity | NPC317815 |
0.5873 | Remote Similarity | NPC245768 |
0.5873 | Remote Similarity | NPC123814 |
0.5833 | Remote Similarity | NPC181588 |
0.5833 | Remote Similarity | NPC81647 |
0.5833 | Remote Similarity | NPC204364 |
0.5833 | Remote Similarity | NPC304454 |
0.5821 | Remote Similarity | NPC476537 |
0.5821 | Remote Similarity | NPC216415 |
0.5818 | Remote Similarity | NPC73245 |
0.5806 | Remote Similarity | NPC319110 |
0.5806 | Remote Similarity | NPC329181 |
0.5783 | Remote Similarity | NPC469363 |
0.5781 | Remote Similarity | NPC60672 |
0.5781 | Remote Similarity | NPC322091 |
0.5769 | Remote Similarity | NPC191774 |
0.5769 | Remote Similarity | NPC473741 |
0.5769 | Remote Similarity | NPC477145 |
0.5769 | Remote Similarity | NPC175342 |
0.5753 | Remote Similarity | NPC472579 |
0.575 | Remote Similarity | NPC314466 |
0.5741 | Remote Similarity | NPC9294 |
0.5741 | Remote Similarity | NPC229838 |
0.5738 | Remote Similarity | NPC193872 |
0.5714 | Remote Similarity | NPC113928 |
0.5714 | Remote Similarity | NPC301696 |
0.5714 | Remote Similarity | NPC201844 |
0.5714 | Remote Similarity | NPC279026 |
0.5714 | Remote Similarity | NPC154186 |
0.5714 | Remote Similarity | NPC88898 |
0.5714 | Remote Similarity | NPC261080 |
0.5714 | Remote Similarity | NPC301585 |
0.5714 | Remote Similarity | NPC14227 |
0.5714 | Remote Similarity | NPC19576 |
0.5714 | Remote Similarity | NPC29950 |
0.5714 | Remote Similarity | NPC106216 |
0.5694 | Remote Similarity | NPC118524 |
0.5692 | Remote Similarity | NPC102815 |
0.5676 | Remote Similarity | NPC478256 |
0.5676 | Remote Similarity | NPC477642 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC278209 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 |
---|---|---|---|
0.8654 | High Similarity | NPD9044 | Approved |
0.8654 | High Similarity | NPD9016 | Clinical (unspecified phase) |
0.8095 | Intermediate Similarity | NPD9451 | Clinical (unspecified phase) |
0.7778 | Intermediate Similarity | NPD8809 | Approved |
0.7778 | Intermediate Similarity | NPD8808 | Approved |
0.7692 | Intermediate Similarity | NPD9019 | Approved |
0.7321 | Intermediate Similarity | NPD9017 | Approved |
0.7321 | Intermediate Similarity | NPD9018 | Approved |
0.7213 | Intermediate Similarity | NPD8865 | Approved |
0.7213 | Intermediate Similarity | NPD9433 | Approved |
0.7167 | Intermediate Similarity | NPD9454 | Approved |
0.7143 | Intermediate Similarity | NPD9014 | Approved |
0.7121 | Intermediate Similarity | NPD9233 | Phase 3 |
0.7121 | Intermediate Similarity | NPD9231 | Phase 3 |
0.7121 | Intermediate Similarity | NPD9232 | Phase 2 |
0.7101 | Intermediate Similarity | NPD1825 | Clinical (unspecified phase) |
0.7101 | Intermediate Similarity | NPD6944 | Clinical (unspecified phase) |
0.7031 | Intermediate Similarity | NPD9676 | Phase 3 |
0.6949 | Remote Similarity | NPD8785 | Approved |
0.6923 | Remote Similarity | NPD9048 | Approved |
0.6923 | Remote Similarity | NPD9046 | Phase 3 |
0.6923 | Remote Similarity | NPD9047 | Approved |
0.6923 | Remote Similarity | NPD9045 | Approved |
0.6897 | Remote Similarity | NPD8872 | Phase 3 |
0.6897 | Remote Similarity | NPD8871 | Approved |
0.6852 | Remote Similarity | NPD8804 | Approved |
0.6852 | Remote Similarity | NPD8805 | Approved |
0.6727 | Remote Similarity | NPD8798 | Approved |
0.6724 | Remote Similarity | NPD9230 | Discontinued |
0.6667 | Remote Similarity | NPD8851 | Phase 1 |
0.6618 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD886 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD9421 | Phase 1 |
0.6613 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.6613 | Remote Similarity | NPD8979 | Approved |
0.6613 | Remote Similarity | NPD8980 | Approved |
0.6571 | Remote Similarity | NPD2220 | Clinical (unspecified phase) |
0.6567 | Remote Similarity | NPD348 | Approved |
0.6533 | Remote Similarity | NPD617 | Approved |
0.6528 | Remote Similarity | NPD9217 | Clinical (unspecified phase) |
0.6528 | Remote Similarity | NPD366 | Approved |
0.65 | Remote Similarity | NPD9441 | Phase 2 |
0.6479 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.6479 | Remote Similarity | NPD5382 | Phase 2 |
0.6471 | Remote Similarity | NPD8952 | Approved |
0.6406 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.6406 | Remote Similarity | NPD9438 | Approved |
0.6406 | Remote Similarity | NPD9439 | Approved |
0.6389 | Remote Similarity | NPD1147 | Phase 2 |
0.6379 | Remote Similarity | NPD8866 | Approved |
0.6379 | Remote Similarity | NPD8867 | Approved |
0.6377 | Remote Similarity | NPD8868 | Approved |
0.6346 | Remote Similarity | NPD8211 | Approved |
0.6346 | Remote Similarity | NPD8210 | Phase 3 |
0.629 | Remote Similarity | NPD630 | Approved |
0.629 | Remote Similarity | NPD631 | Approved |
0.6286 | Remote Similarity | NPD337 | Discontinued |
0.6286 | Remote Similarity | NPD4241 | Registered |
0.6271 | Remote Similarity | NPD8614 | Approved |
0.6216 | Remote Similarity | NPD632 | Discontinued |
0.6207 | Remote Similarity | NPD8801 | Approved |
0.6203 | Remote Similarity | NPD4829 | Discontinued |
0.6197 | Remote Similarity | NPD4242 | Approved |
0.6197 | Remote Similarity | NPD620 | Approved |
0.619 | Remote Similarity | NPD2682 | Approved |
0.6167 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD9021 | Approved |
0.6167 | Remote Similarity | NPD8802 | Approved |
0.6167 | Remote Similarity | NPD8624 | Approved |
0.6167 | Remote Similarity | NPD8947 | Approved |
0.6167 | Remote Similarity | NPD8946 | Approved |
0.6129 | Remote Similarity | NPD9204 | Approved |
0.6129 | Remote Similarity | NPD9205 | Approved |
0.6119 | Remote Similarity | NPD9656 | Approved |
0.6119 | Remote Similarity | NPD574 | Approved |
0.6111 | Remote Similarity | NPD8623 | Phase 1 |
0.6102 | Remote Similarity | NPD8850 | Approved |
0.6094 | Remote Similarity | NPD4281 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD1125 | Discovery |
0.6034 | Remote Similarity | NPD8610 | Approved |
0.6029 | Remote Similarity | NPD575 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4261 | Phase 1 |
0.6 | Remote Similarity | NPD9201 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD8971 | Approved |
0.5932 | Remote Similarity | NPD8982 | Approved |
0.5932 | Remote Similarity | NPD2271 | Phase 3 |
0.593 | Remote Similarity | NPD6699 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD326 | Approved |
0.5915 | Remote Similarity | NPD375 | Phase 2 |
0.5904 | Remote Similarity | NPD3176 | Clinical (unspecified phase) |
0.589 | Remote Similarity | NPD9649 | Approved |
0.5873 | Remote Similarity | NPD3215 | Phase 1 |
0.5833 | Remote Similarity | NPD621 | Discontinued |
0.5833 | Remote Similarity | NPD8972 | Approved |
0.5833 | Remote Similarity | NPD398 | Approved |
0.5833 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD8973 | Approved |
0.5833 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD400 | Approved |
0.5833 | Remote Similarity | NPD399 | Approved |
0.5806 | Remote Similarity | NPD3214 | Discontinued |
0.5783 | Remote Similarity | NPD7759 | Phase 2 |
0.5783 | Remote Similarity | NPD7760 | Phase 2 |
0.5778 | Remote Similarity | NPD3715 | Approved |
0.5778 | Remote Similarity | NPD3714 | Approved |
0.5778 | Remote Similarity | NPD3713 | Approved |
0.5769 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD9425 | Approved |
0.5732 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8846 | Approved |
0.5714 | Remote Similarity | NPD9448 | Phase 2 |
0.5714 | Remote Similarity | NPD61 | Approved |
0.5714 | Remote Similarity | NPD633 | Phase 3 |
0.5714 | Remote Similarity | NPD8847 | Approved |
0.5694 | Remote Similarity | NPD2263 | Discontinued |
0.5679 | Remote Similarity | NPD2683 | Discontinued |
0.5667 | Remote Similarity | NPD9020 | Approved |
0.5625 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD9659 | Approved |
PubChem CID   | 6992003;440121 |
ChEMBL   | CHEMBL1234168 |
ZINC   |
Molecular Weight:   | 189.16 |
ALogP:   | -3.1362 |
MLogP:   | 2.01 |
XLogP:   | -2.511 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 63.32 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 13 |