Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27103 | Satureja vulgaris | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO27030 | Commiphora sphaerocarpa | Species | Burseraceae | Eukaryota | UNPD* | |||
NPO25797 | Piper divaricatum | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO29478 | Delphinium cardiopetalum | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO29337 | Calystegia soldanella | Species | Convolvulaceae | Eukaryota | UNPD* | |||
NPO26847 | Lecidea quernea | Species | Lecideaceae | Eukaryota | UNPD* | |||
NPO142 | Cassine glauca | Species | Celastraceae | Eukaryota | UNPD* | |||
NPO29176 | Gaillardia aestivalis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO22662 | Scilla peruviana | Species | Hyacinthaceae | Eukaryota |
PMID[15165148] |
|||
NPO23250 | Plakortis angulospiculatus | Species | Plakinidae | Eukaryota | UNPD* | |||
NPO10350 | Erythrina speciosa | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO26218 | Prosopis africana | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO17806 | Richteria pyrethroides | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO26151 | Santolina pectinata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO10677 | Prunus prostrata | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO25740 | Cissus ibuensis | Species | Vitaceae | Eukaryota | UNPD* | |||
NPO27187 | Paramignya monophylla | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO25832 | Helichrysum drakensbergense | Species | Asteraceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 95000 | nM | 15165148 |
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 NPC12514 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 | NPC294883 |
0.9836 | High Similarity | NPC141156 |
0.9836 | High Similarity | NPC184150 |
0.9677 | High Similarity | NPC254617 |
0.9677 | High Similarity | NPC474469 |
0.9677 | High Similarity | NPC266242 |
0.9677 | High Similarity | NPC306763 |
0.9677 | High Similarity | NPC74555 |
0.9524 | High Similarity | NPC475715 |
0.9524 | High Similarity | NPC473419 |
0.9524 | High Similarity | NPC475127 |
0.9516 | High Similarity | NPC59221 |
0.9375 | High Similarity | NPC115800 |
0.9375 | High Similarity | NPC163538 |
0.8594 | High Similarity | NPC233034 |
0.8485 | Intermediate Similarity | NPC126664 |
0.8485 | Intermediate Similarity | NPC34291 |
0.8333 | Intermediate Similarity | NPC275727 |
0.803 | Intermediate Similarity | NPC474928 |
0.7971 | Intermediate Similarity | NPC473710 |
0.7971 | Intermediate Similarity | NPC475694 |
0.791 | Intermediate Similarity | NPC77191 |
0.791 | Intermediate Similarity | NPC473952 |
0.791 | Intermediate Similarity | NPC69798 |
0.791 | Intermediate Similarity | NPC116377 |
0.791 | Intermediate Similarity | NPC101746 |
0.7846 | Intermediate Similarity | NPC8087 |
0.7846 | Intermediate Similarity | NPC62507 |
0.7746 | Intermediate Similarity | NPC474468 |
0.7742 | Intermediate Similarity | NPC471423 |
0.7742 | Intermediate Similarity | NPC471442 |
0.7681 | Intermediate Similarity | NPC171850 |
0.7576 | Intermediate Similarity | NPC30126 |
0.7576 | Intermediate Similarity | NPC57846 |
0.7576 | Intermediate Similarity | NPC474014 |
0.75 | Intermediate Similarity | NPC471443 |
0.75 | Intermediate Similarity | NPC471605 |
0.7361 | Intermediate Similarity | NPC285014 |
0.7361 | Intermediate Similarity | NPC255535 |
0.7361 | Intermediate Similarity | NPC299603 |
0.7361 | Intermediate Similarity | NPC137554 |
0.7361 | Intermediate Similarity | NPC28959 |
0.7353 | Intermediate Similarity | NPC163134 |
0.7353 | Intermediate Similarity | NPC471419 |
0.7231 | Intermediate Similarity | NPC311668 |
0.7231 | Intermediate Similarity | NPC65832 |
0.7231 | Intermediate Similarity | NPC10262 |
0.7031 | Intermediate Similarity | NPC178263 |
0.7031 | Intermediate Similarity | NPC277072 |
0.7015 | Intermediate Similarity | NPC170172 |
0.6944 | Remote Similarity | NPC471418 |
0.6849 | Remote Similarity | NPC268922 |
0.6786 | Remote Similarity | NPC52533 |
0.6769 | Remote Similarity | NPC272396 |
0.6765 | Remote Similarity | NPC233364 |
0.6765 | Remote Similarity | NPC471421 |
0.6761 | Remote Similarity | NPC223386 |
0.6761 | Remote Similarity | NPC142290 |
0.6761 | Remote Similarity | NPC75435 |
0.6761 | Remote Similarity | NPC198341 |
0.6761 | Remote Similarity | NPC471892 |
0.6761 | Remote Similarity | NPC471780 |
0.6716 | Remote Similarity | NPC293551 |
0.6667 | Remote Similarity | NPC286851 |
0.6667 | Remote Similarity | NPC476695 |
0.6667 | Remote Similarity | NPC476696 |
0.6667 | Remote Similarity | NPC303798 |
0.6667 | Remote Similarity | NPC476694 |
0.6667 | Remote Similarity | NPC315980 |
0.6585 | Remote Similarity | NPC165119 |
0.6522 | Remote Similarity | NPC143809 |
0.6522 | Remote Similarity | NPC76726 |
0.6522 | Remote Similarity | NPC193593 |
0.6522 | Remote Similarity | NPC290106 |
0.6479 | Remote Similarity | NPC306462 |
0.6479 | Remote Similarity | NPC218150 |
0.6479 | Remote Similarity | NPC150680 |
0.6479 | Remote Similarity | NPC2432 |
0.6479 | Remote Similarity | NPC22774 |
0.6479 | Remote Similarity | NPC145627 |
0.6479 | Remote Similarity | NPC69669 |
0.6471 | Remote Similarity | NPC8979 |
0.6301 | Remote Similarity | NPC160661 |
0.6279 | Remote Similarity | NPC306838 |
0.625 | Remote Similarity | NPC17455 |
0.622 | Remote Similarity | NPC83248 |
0.622 | Remote Similarity | NPC100204 |
0.6196 | Remote Similarity | NPC313821 |
0.6173 | Remote Similarity | NPC233108 |
0.6143 | Remote Similarity | NPC204709 |
0.6098 | Remote Similarity | NPC150557 |
0.6076 | Remote Similarity | NPC315806 |
0.6053 | Remote Similarity | NPC195165 |
0.6029 | Remote Similarity | NPC270041 |
0.5952 | Remote Similarity | NPC471420 |
0.5926 | Remote Similarity | NPC470782 |
0.589 | Remote Similarity | NPC112398 |
0.5882 | Remote Similarity | NPC123814 |
0.5876 | Remote Similarity | NPC314387 |
0.5875 | Remote Similarity | NPC126186 |
0.5862 | Remote Similarity | NPC277918 |
0.5854 | Remote Similarity | NPC329077 |
0.5833 | Remote Similarity | NPC319991 |
0.5823 | Remote Similarity | NPC477200 |
0.5795 | Remote Similarity | NPC469363 |
0.5758 | Remote Similarity | NPC121062 |
0.5758 | Remote Similarity | NPC29222 |
0.5758 | Remote Similarity | NPC96966 |
0.5753 | Remote Similarity | NPC474627 |
0.5753 | Remote Similarity | NPC201338 |
0.5753 | Remote Similarity | NPC328786 |
0.575 | Remote Similarity | NPC29326 |
0.5714 | Remote Similarity | NPC78312 |
0.5714 | Remote Similarity | NPC221764 |
0.5714 | Remote Similarity | NPC135539 |
0.5714 | Remote Similarity | NPC196359 |
0.57 | Remote Similarity | NPC471844 |
0.5698 | Remote Similarity | NPC36927 |
0.5698 | Remote Similarity | NPC271772 |
0.5696 | Remote Similarity | NPC327486 |
0.5696 | Remote Similarity | NPC223174 |
0.5696 | Remote Similarity | NPC327753 |
0.5658 | Remote Similarity | NPC472609 |
0.5652 | Remote Similarity | NPC474322 |
0.5641 | Remote Similarity | NPC316445 |
0.5604 | Remote Similarity | NPC322966 |
0.5604 | Remote Similarity | NPC275715 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC12514 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 |
---|---|---|---|
0.9677 | High Similarity | NPD9444 | Discontinued |
0.8594 | High Similarity | NPD9440 | Discontinued |
0.8485 | Intermediate Similarity | NPD9443 | Clinical (unspecified phase) |
0.7164 | Intermediate Similarity | NPD9455 | Approved |
0.7059 | Intermediate Similarity | NPD393 | Approved |
0.7 | Intermediate Similarity | NPD882 | Phase 2 |
0.7 | Intermediate Similarity | NPD883 | Phase 2 |
0.6479 | Remote Similarity | NPD9029 | Phase 3 |
0.6479 | Remote Similarity | NPD9027 | Phase 3 |
0.6479 | Remote Similarity | NPD9026 | Phase 2 |
0.6479 | Remote Similarity | NPD9028 | Phase 2 |
0.6429 | Remote Similarity | NPD9239 | Approved |
0.6429 | Remote Similarity | NPD9240 | Approved |
0.6196 | Remote Similarity | NPD3191 | Approved |
0.6196 | Remote Similarity | NPD3190 | Approved |
0.6196 | Remote Similarity | NPD3189 | Approved |
0.6081 | Remote Similarity | NPD1457 | Discontinued |
0.6076 | Remote Similarity | NPD9653 | Clinical (unspecified phase) |
0.5977 | Remote Similarity | NPD394 | Phase 3 |
0.589 | Remote Similarity | NPD9022 | Phase 2 |
0.589 | Remote Similarity | NPD9024 | Phase 2 |
0.5882 | Remote Similarity | NPD3215 | Phase 1 |
0.5876 | Remote Similarity | NPD3185 | Approved |
0.5876 | Remote Similarity | NPD3184 | Approved |
0.5876 | Remote Similarity | NPD3183 | Approved |
0.5876 | Remote Similarity | NPD3182 | Approved |
0.5862 | Remote Similarity | NPD9401 | Discovery |
0.5854 | Remote Similarity | NPD372 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD9407 | Approved |
0.5714 | Remote Similarity | NPD8868 | Approved |
0.5698 | Remote Similarity | NPD2691 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD9445 | Approved |
0.5696 | Remote Similarity | NPD2220 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD3193 | Approved |
0.5676 | Remote Similarity | NPD3192 | Approved |
0.5667 | Remote Similarity | NPD3177 | Phase 3 |
0.5625 | Remote Similarity | NPD9446 | Approved |
0.5618 | Remote Similarity | NPD3723 | Clinical (unspecified phase) |
PubChem CID   | 72360 |
ChEMBL   | CHEMBL469429 |
ZINC   |
Molecular Weight:   | 189.10 |
ALogP:   | -2.3448 |
MLogP:   | 1.79 |
XLogP:   | -1.792 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 84.16 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 4 |
# Rings:   | 2 |
# Heavy Atoms:   | 13 |