Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota |
PMID[15974602] |
|||
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | TCMSP* | |||
NPO3724 | Amomum neoaurantiacum | Species | Zingiberaceae | Eukaryota | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT451 | Organism | Helicobacter pylori | Helicobacter pylori | IZ | = | 11.9 | mm | 15974602 |
NPT452 | Organism | Helicobacter pylori SS1 | Helicobacter pylori SS1 | IZ | = | 10.6 | mm | 15974602 |
NPT451 | Organism | Helicobacter pylori | Helicobacter pylori | MIC | = | 62.5 | ug/ml | 15974602 |
NPT452 | Organism | Helicobacter pylori SS1 | Helicobacter pylori SS1 | MIC | = | 125 | ug/ml | 15974602 |
NPT451 | Organism | Helicobacter pylori | Helicobacter pylori | MIC | = | 31.3 | ug/ml | 15974602 |
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 NPC244038 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 |
---|---|---|
0.8846 | High Similarity | NPC148216 |
0.8846 | High Similarity | NPC232247 |
0.8846 | High Similarity | NPC130209 |
0.8846 | High Similarity | NPC148163 |
0.8846 | High Similarity | NPC251666 |
0.86 | High Similarity | NPC26960 |
0.86 | High Similarity | NPC182102 |
0.8491 | Intermediate Similarity | NPC298299 |
0.807 | Intermediate Similarity | NPC240506 |
0.807 | Intermediate Similarity | NPC66020 |
0.8 | Intermediate Similarity | NPC55412 |
0.8 | Intermediate Similarity | NPC249645 |
0.8 | Intermediate Similarity | NPC48891 |
0.7931 | Intermediate Similarity | NPC207007 |
0.7931 | Intermediate Similarity | NPC321867 |
0.7931 | Intermediate Similarity | NPC68679 |
0.7857 | Intermediate Similarity | NPC11130 |
0.78 | Intermediate Similarity | NPC24824 |
0.78 | Intermediate Similarity | NPC165651 |
0.78 | Intermediate Similarity | NPC210560 |
0.7705 | Intermediate Similarity | NPC326310 |
0.7705 | Intermediate Similarity | NPC202017 |
0.7667 | Intermediate Similarity | NPC96793 |
0.7667 | Intermediate Similarity | NPC107540 |
0.7667 | Intermediate Similarity | NPC323424 |
0.766 | Intermediate Similarity | NPC255042 |
0.766 | Intermediate Similarity | NPC29091 |
0.766 | Intermediate Similarity | NPC103213 |
0.766 | Intermediate Similarity | NPC182840 |
0.7593 | Intermediate Similarity | NPC181255 |
0.7593 | Intermediate Similarity | NPC179169 |
0.7593 | Intermediate Similarity | NPC306195 |
0.7593 | Intermediate Similarity | NPC157781 |
0.7593 | Intermediate Similarity | NPC35519 |
0.7586 | Intermediate Similarity | NPC122239 |
0.7586 | Intermediate Similarity | NPC309825 |
0.7581 | Intermediate Similarity | NPC114651 |
0.7581 | Intermediate Similarity | NPC171225 |
0.75 | Intermediate Similarity | NPC329686 |
0.746 | Intermediate Similarity | NPC96484 |
0.7458 | Intermediate Similarity | NPC234264 |
0.7458 | Intermediate Similarity | NPC471081 |
0.7458 | Intermediate Similarity | NPC47840 |
0.7447 | Intermediate Similarity | NPC297643 |
0.7447 | Intermediate Similarity | NPC229262 |
0.7447 | Intermediate Similarity | NPC139717 |
0.7419 | Intermediate Similarity | NPC267027 |
0.7414 | Intermediate Similarity | NPC226848 |
0.7414 | Intermediate Similarity | NPC155025 |
0.7414 | Intermediate Similarity | NPC181872 |
0.7407 | Intermediate Similarity | NPC214584 |
0.7407 | Intermediate Similarity | NPC474495 |
0.7407 | Intermediate Similarity | NPC473672 |
0.7407 | Intermediate Similarity | NPC26906 |
0.74 | Intermediate Similarity | NPC269862 |
0.74 | Intermediate Similarity | NPC116934 |
0.7377 | Intermediate Similarity | NPC475704 |
0.7368 | Intermediate Similarity | NPC474643 |
0.7368 | Intermediate Similarity | NPC473865 |
0.7347 | Intermediate Similarity | NPC269823 |
0.7344 | Intermediate Similarity | NPC474248 |
0.7344 | Intermediate Similarity | NPC471560 |
0.7302 | Intermediate Similarity | NPC82337 |
0.7292 | Intermediate Similarity | NPC15934 |
0.7288 | Intermediate Similarity | NPC475931 |
0.7273 | Intermediate Similarity | NPC177112 |
0.7273 | Intermediate Similarity | NPC71506 |
0.7273 | Intermediate Similarity | NPC68014 |
0.7273 | Intermediate Similarity | NPC35756 |
0.7234 | Intermediate Similarity | NPC76145 |
0.7234 | Intermediate Similarity | NPC34764 |
0.7234 | Intermediate Similarity | NPC190810 |
0.7231 | Intermediate Similarity | NPC34834 |
0.7222 | Intermediate Similarity | NPC474460 |
0.7213 | Intermediate Similarity | NPC473759 |
0.7213 | Intermediate Similarity | NPC473508 |
0.7213 | Intermediate Similarity | NPC174956 |
0.7213 | Intermediate Similarity | NPC124112 |
0.7213 | Intermediate Similarity | NPC474155 |
0.72 | Intermediate Similarity | NPC213538 |
0.72 | Intermediate Similarity | NPC256766 |
0.7193 | Intermediate Similarity | NPC474644 |
0.7167 | Intermediate Similarity | NPC99487 |
0.7143 | Intermediate Similarity | NPC135650 |
0.7121 | Intermediate Similarity | NPC23954 |
0.7115 | Intermediate Similarity | NPC160628 |
0.7115 | Intermediate Similarity | NPC87439 |
0.7115 | Intermediate Similarity | NPC269074 |
0.7115 | Intermediate Similarity | NPC140501 |
0.7097 | Intermediate Similarity | NPC300593 |
0.7077 | Intermediate Similarity | NPC473893 |
0.7049 | Intermediate Similarity | NPC469728 |
0.7049 | Intermediate Similarity | NPC225342 |
0.7037 | Intermediate Similarity | NPC62755 |
0.7031 | Intermediate Similarity | NPC69649 |
0.7031 | Intermediate Similarity | NPC472875 |
0.7031 | Intermediate Similarity | NPC68703 |
0.7015 | Intermediate Similarity | NPC220939 |
0.7015 | Intermediate Similarity | NPC265485 |
0.7 | Intermediate Similarity | NPC188596 |
0.6984 | Remote Similarity | NPC308844 |
0.6984 | Remote Similarity | NPC19569 |
0.6984 | Remote Similarity | NPC187619 |
0.6984 | Remote Similarity | NPC471200 |
0.6964 | Remote Similarity | NPC208638 |
0.6964 | Remote Similarity | NPC40417 |
0.6964 | Remote Similarity | NPC294358 |
0.6935 | Remote Similarity | NPC81615 |
0.6923 | Remote Similarity | NPC117804 |
0.6923 | Remote Similarity | NPC138935 |
0.6909 | Remote Similarity | NPC72699 |
0.6897 | Remote Similarity | NPC227135 |
0.6885 | Remote Similarity | NPC176621 |
0.6875 | Remote Similarity | NPC286669 |
0.6875 | Remote Similarity | NPC222366 |
0.6875 | Remote Similarity | NPC311736 |
0.6875 | Remote Similarity | NPC162309 |
0.6875 | Remote Similarity | NPC476039 |
0.6863 | Remote Similarity | NPC180871 |
0.6863 | Remote Similarity | NPC108494 |
0.6863 | Remote Similarity | NPC88079 |
0.6863 | Remote Similarity | NPC304151 |
0.6863 | Remote Similarity | NPC67761 |
0.6863 | Remote Similarity | NPC194586 |
0.6863 | Remote Similarity | NPC51758 |
0.6863 | Remote Similarity | NPC68889 |
0.6863 | Remote Similarity | NPC209279 |
0.6842 | Remote Similarity | NPC474496 |
0.6825 | Remote Similarity | NPC110241 |
0.6825 | Remote Similarity | NPC290367 |
0.6825 | Remote Similarity | NPC309300 |
0.6786 | Remote Similarity | NPC151782 |
0.6774 | Remote Similarity | NPC475251 |
0.6769 | Remote Similarity | NPC163290 |
0.6769 | Remote Similarity | NPC136813 |
0.6769 | Remote Similarity | NPC259299 |
0.6769 | Remote Similarity | NPC197805 |
0.6769 | Remote Similarity | NPC477791 |
0.6765 | Remote Similarity | NPC474743 |
0.6765 | Remote Similarity | NPC130665 |
0.6731 | Remote Similarity | NPC252978 |
0.6727 | Remote Similarity | NPC267110 |
0.6727 | Remote Similarity | NPC153538 |
0.6727 | Remote Similarity | NPC31194 |
0.6727 | Remote Similarity | NPC248884 |
0.6727 | Remote Similarity | NPC85079 |
0.6724 | Remote Similarity | NPC189677 |
0.6719 | Remote Similarity | NPC163678 |
0.6716 | Remote Similarity | NPC189745 |
0.6714 | Remote Similarity | NPC247325 |
0.6714 | Remote Similarity | NPC244488 |
0.6667 | Remote Similarity | NPC216460 |
0.6667 | Remote Similarity | NPC208999 |
0.6667 | Remote Similarity | NPC180575 |
0.6667 | Remote Similarity | NPC224532 |
0.6667 | Remote Similarity | NPC83200 |
0.6667 | Remote Similarity | NPC55063 |
0.6667 | Remote Similarity | NPC201048 |
0.6667 | Remote Similarity | NPC476366 |
0.6667 | Remote Similarity | NPC19834 |
0.6667 | Remote Similarity | NPC167527 |
0.6667 | Remote Similarity | NPC471238 |
0.6667 | Remote Similarity | NPC305698 |
0.662 | Remote Similarity | NPC477426 |
0.662 | Remote Similarity | NPC471061 |
0.662 | Remote Similarity | NPC477425 |
0.662 | Remote Similarity | NPC91594 |
0.662 | Remote Similarity | NPC40049 |
0.662 | Remote Similarity | NPC477427 |
0.662 | Remote Similarity | NPC474826 |
0.6618 | Remote Similarity | NPC95863 |
0.6618 | Remote Similarity | NPC477792 |
0.6615 | Remote Similarity | NPC81907 |
0.6615 | Remote Similarity | NPC250977 |
0.6615 | Remote Similarity | NPC259156 |
0.6615 | Remote Similarity | NPC279434 |
0.6615 | Remote Similarity | NPC242945 |
0.6613 | Remote Similarity | NPC19241 |
0.661 | Remote Similarity | NPC67508 |
0.661 | Remote Similarity | NPC84824 |
0.6607 | Remote Similarity | NPC249670 |
0.6607 | Remote Similarity | NPC473913 |
0.6607 | Remote Similarity | NPC475071 |
0.6607 | Remote Similarity | NPC329773 |
0.6607 | Remote Similarity | NPC474642 |
0.6604 | Remote Similarity | NPC248411 |
0.6604 | Remote Similarity | NPC108195 |
0.6604 | Remote Similarity | NPC202189 |
0.6571 | Remote Similarity | NPC69383 |
0.6571 | Remote Similarity | NPC313179 |
0.6571 | Remote Similarity | NPC32832 |
0.6571 | Remote Similarity | NPC171148 |
0.6567 | Remote Similarity | NPC90115 |
0.6567 | Remote Similarity | NPC217570 |
0.6567 | Remote Similarity | NPC239373 |
0.6567 | Remote Similarity | NPC329989 |
0.6562 | Remote Similarity | NPC150162 |
0.6562 | Remote Similarity | NPC225415 |
0.6557 | Remote Similarity | NPC10017 |
0.6557 | Remote Similarity | NPC475830 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC244038 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 |
---|---|---|---|
0.8846 | High Similarity | NPD342 | Phase 1 |
0.8 | Intermediate Similarity | NPD4219 | Approved |
0.7931 | Intermediate Similarity | NPD368 | Approved |
0.7234 | Intermediate Similarity | NPD319 | Phase 1 |
0.7115 | Intermediate Similarity | NPD4265 | Approved |
0.6571 | Remote Similarity | NPD8264 | Approved |
0.6508 | Remote Similarity | NPD4193 | Approved |
0.6508 | Remote Similarity | NPD4192 | Approved |
0.6508 | Remote Similarity | NPD4191 | Approved |
0.6508 | Remote Similarity | NPD4194 | Approved |
0.6111 | Remote Similarity | NPD6942 | Approved |
0.6111 | Remote Similarity | NPD7339 | Approved |
0.6087 | Remote Similarity | NPD6922 | Approved |
0.6087 | Remote Similarity | NPD6923 | Approved |
0.6081 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6056 | Remote Similarity | NPD4732 | Discontinued |
0.6027 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7143 | Approved |
0.6 | Remote Similarity | NPD7144 | Approved |
0.5946 | Remote Similarity | NPD6925 | Approved |
0.5946 | Remote Similarity | NPD5776 | Phase 2 |
0.5921 | Remote Similarity | NPD7332 | Phase 2 |
0.5921 | Remote Similarity | NPD7514 | Phase 3 |
0.5915 | Remote Similarity | NPD7150 | Approved |
0.5915 | Remote Similarity | NPD7152 | Approved |
0.5915 | Remote Similarity | NPD7151 | Approved |
0.5867 | Remote Similarity | NPD7145 | Approved |
0.5844 | Remote Similarity | NPD6902 | Approved |
0.5802 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD6929 | Approved |
0.5789 | Remote Similarity | NPD7645 | Phase 2 |
0.5753 | Remote Similarity | NPD6926 | Approved |
0.5753 | Remote Similarity | NPD6924 | Approved |
0.5714 | Remote Similarity | NPD6930 | Phase 2 |
0.5714 | Remote Similarity | NPD6931 | Approved |
0.5694 | Remote Similarity | NPD4243 | Approved |
0.5672 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5658 | Remote Similarity | NPD4268 | Approved |
0.5658 | Remote Similarity | NPD4271 | Approved |
0.5658 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD7331 | Phase 2 |
0.5641 | Remote Similarity | NPD6898 | Phase 1 |
0.5636 | Remote Similarity | NPD1799 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6933 | Approved |
PubChem CID   | 15560069 |
ChEMBL   | CHEMBL443875 |
ZINC   |
Molecular Weight:   | 220.18 |
ALogP:   | 2.2839 |
MLogP:   | 3 |
XLogP:   | 3.67 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 16 |