Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25682 | Acorus calamus | Species | Acoraceae | Eukaryota | Rhizomes |
PMID[21563811] |
||
NPO31101 | Acarus calamus | Species | Acaridae | Eukaryota | TCM_Taiwan* | |||
NPO12028 | Acori tataninowii rhizoma | NA | NA | NA | TCMSP* | |||
NPO25682 | Acorus calamus | Species | Acoraceae | Eukaryota | TM-MC* | |||
NPO7645 | Helicteres isora | Species | Malvaceae | Eukaryota | TCMID* | |||
NPO25682 | Acorus calamus | Species | Acoraceae | Eukaryota | TCMID* | |||
NPO29031 | Rhizoma acori graminei | NA | NA | NA | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | EC50 | = | 109400 | nM | 21563811 |
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 NPC115385 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 |
---|---|---|
0.8793 | High Similarity | NPC127582 |
0.8772 | High Similarity | NPC27610 |
0.8772 | High Similarity | NPC56905 |
0.8667 | High Similarity | NPC475124 |
0.8667 | High Similarity | NPC285371 |
0.8621 | High Similarity | NPC472304 |
0.8621 | High Similarity | NPC276764 |
0.8596 | High Similarity | NPC192427 |
0.8571 | High Similarity | NPC200258 |
0.8545 | High Similarity | NPC268564 |
0.8525 | High Similarity | NPC251118 |
0.85 | High Similarity | NPC165695 |
0.8448 | Intermediate Similarity | NPC94991 |
0.8448 | Intermediate Similarity | NPC266295 |
0.8413 | Intermediate Similarity | NPC260474 |
0.8413 | Intermediate Similarity | NPC188292 |
0.8361 | Intermediate Similarity | NPC469662 |
0.8361 | Intermediate Similarity | NPC6697 |
0.8333 | Intermediate Similarity | NPC213152 |
0.8333 | Intermediate Similarity | NPC60565 |
0.8305 | Intermediate Similarity | NPC285594 |
0.8305 | Intermediate Similarity | NPC96551 |
0.8305 | Intermediate Similarity | NPC259261 |
0.8197 | Intermediate Similarity | NPC197238 |
0.8197 | Intermediate Similarity | NPC202118 |
0.8197 | Intermediate Similarity | NPC288253 |
0.8197 | Intermediate Similarity | NPC472306 |
0.8182 | Intermediate Similarity | NPC236623 |
0.8167 | Intermediate Similarity | NPC25853 |
0.8136 | Intermediate Similarity | NPC311852 |
0.8136 | Intermediate Similarity | NPC30215 |
0.8136 | Intermediate Similarity | NPC308108 |
0.8136 | Intermediate Similarity | NPC170799 |
0.8125 | Intermediate Similarity | NPC310992 |
0.8125 | Intermediate Similarity | NPC87141 |
0.8113 | Intermediate Similarity | NPC14917 |
0.8113 | Intermediate Similarity | NPC236355 |
0.8113 | Intermediate Similarity | NPC4079 |
0.8065 | Intermediate Similarity | NPC212210 |
0.803 | Intermediate Similarity | NPC54123 |
0.803 | Intermediate Similarity | NPC115023 |
0.8 | Intermediate Similarity | NPC116906 |
0.8 | Intermediate Similarity | NPC139397 |
0.8 | Intermediate Similarity | NPC256846 |
0.8 | Intermediate Similarity | NPC32351 |
0.7966 | Intermediate Similarity | NPC230823 |
0.7966 | Intermediate Similarity | NPC267626 |
0.7966 | Intermediate Similarity | NPC193695 |
0.7966 | Intermediate Similarity | NPC49575 |
0.7966 | Intermediate Similarity | NPC55004 |
0.7937 | Intermediate Similarity | NPC470329 |
0.7931 | Intermediate Similarity | NPC275472 |
0.791 | Intermediate Similarity | NPC251705 |
0.791 | Intermediate Similarity | NPC470045 |
0.791 | Intermediate Similarity | NPC470044 |
0.7903 | Intermediate Similarity | NPC32285 |
0.7895 | Intermediate Similarity | NPC474141 |
0.7879 | Intermediate Similarity | NPC282593 |
0.7879 | Intermediate Similarity | NPC35734 |
0.7879 | Intermediate Similarity | NPC2634 |
0.7879 | Intermediate Similarity | NPC159577 |
0.7879 | Intermediate Similarity | NPC260040 |
0.7879 | Intermediate Similarity | NPC307176 |
0.7879 | Intermediate Similarity | NPC265782 |
0.7879 | Intermediate Similarity | NPC251929 |
0.7857 | Intermediate Similarity | NPC27438 |
0.7857 | Intermediate Similarity | NPC64866 |
0.7846 | Intermediate Similarity | NPC155198 |
0.7833 | Intermediate Similarity | NPC60772 |
0.7812 | Intermediate Similarity | NPC323005 |
0.7797 | Intermediate Similarity | NPC20603 |
0.7794 | Intermediate Similarity | NPC329866 |
0.7794 | Intermediate Similarity | NPC474796 |
0.7794 | Intermediate Similarity | NPC474797 |
0.7778 | Intermediate Similarity | NPC473902 |
0.7761 | Intermediate Similarity | NPC305501 |
0.7761 | Intermediate Similarity | NPC225467 |
0.7761 | Intermediate Similarity | NPC234707 |
0.7761 | Intermediate Similarity | NPC474562 |
0.7761 | Intermediate Similarity | NPC190035 |
0.7761 | Intermediate Similarity | NPC5701 |
0.7759 | Intermediate Similarity | NPC63396 |
0.7759 | Intermediate Similarity | NPC202850 |
0.7759 | Intermediate Similarity | NPC5626 |
0.7742 | Intermediate Similarity | NPC97322 |
0.7742 | Intermediate Similarity | NPC475795 |
0.7727 | Intermediate Similarity | NPC182815 |
0.7705 | Intermediate Similarity | NPC143834 |
0.7692 | Intermediate Similarity | NPC20181 |
0.7692 | Intermediate Similarity | NPC4370 |
0.7692 | Intermediate Similarity | NPC475523 |
0.7692 | Intermediate Similarity | NPC290350 |
0.7692 | Intermediate Similarity | NPC220210 |
0.7681 | Intermediate Similarity | NPC476346 |
0.7681 | Intermediate Similarity | NPC473171 |
0.7681 | Intermediate Similarity | NPC293803 |
0.7679 | Intermediate Similarity | NPC176819 |
0.7679 | Intermediate Similarity | NPC163984 |
0.7679 | Intermediate Similarity | NPC58970 |
0.7679 | Intermediate Similarity | NPC228776 |
0.7647 | Intermediate Similarity | NPC130016 |
0.7647 | Intermediate Similarity | NPC109576 |
0.7647 | Intermediate Similarity | NPC56747 |
0.7647 | Intermediate Similarity | NPC303613 |
0.7647 | Intermediate Similarity | NPC474228 |
0.7647 | Intermediate Similarity | NPC180015 |
0.7636 | Intermediate Similarity | NPC91962 |
0.7619 | Intermediate Similarity | NPC167256 |
0.7586 | Intermediate Similarity | NPC14002 |
0.7586 | Intermediate Similarity | NPC295777 |
0.7586 | Intermediate Similarity | NPC296311 |
0.7586 | Intermediate Similarity | NPC23117 |
0.7586 | Intermediate Similarity | NPC69898 |
0.7586 | Intermediate Similarity | NPC37644 |
0.7581 | Intermediate Similarity | NPC270042 |
0.7576 | Intermediate Similarity | NPC39157 |
0.7576 | Intermediate Similarity | NPC20610 |
0.7576 | Intermediate Similarity | NPC82477 |
0.7576 | Intermediate Similarity | NPC296697 |
0.7576 | Intermediate Similarity | NPC142754 |
0.7571 | Intermediate Similarity | NPC69408 |
0.7571 | Intermediate Similarity | NPC1254 |
0.7571 | Intermediate Similarity | NPC469793 |
0.7571 | Intermediate Similarity | NPC469796 |
0.7536 | Intermediate Similarity | NPC309852 |
0.7536 | Intermediate Similarity | NPC255021 |
0.75 | Intermediate Similarity | NPC133253 |
0.75 | Intermediate Similarity | NPC21944 |
0.75 | Intermediate Similarity | NPC181204 |
0.75 | Intermediate Similarity | NPC473733 |
0.75 | Intermediate Similarity | NPC470078 |
0.75 | Intermediate Similarity | NPC4638 |
0.7463 | Intermediate Similarity | NPC286814 |
0.7458 | Intermediate Similarity | NPC250539 |
0.7429 | Intermediate Similarity | NPC65650 |
0.7429 | Intermediate Similarity | NPC255650 |
0.7385 | Intermediate Similarity | NPC268039 |
0.7361 | Intermediate Similarity | NPC275494 |
0.7361 | Intermediate Similarity | NPC471409 |
0.7353 | Intermediate Similarity | NPC40574 |
0.7353 | Intermediate Similarity | NPC214770 |
0.7353 | Intermediate Similarity | NPC151045 |
0.7353 | Intermediate Similarity | NPC246722 |
0.7353 | Intermediate Similarity | NPC477856 |
0.7324 | Intermediate Similarity | NPC180886 |
0.7324 | Intermediate Similarity | NPC40353 |
0.7288 | Intermediate Similarity | NPC45283 |
0.7286 | Intermediate Similarity | NPC20025 |
0.7273 | Intermediate Similarity | NPC176171 |
0.7273 | Intermediate Similarity | NPC92327 |
0.7246 | Intermediate Similarity | NPC223187 |
0.7231 | Intermediate Similarity | NPC150162 |
0.7222 | Intermediate Similarity | NPC197659 |
0.7222 | Intermediate Similarity | NPC472300 |
0.7222 | Intermediate Similarity | NPC257666 |
0.7222 | Intermediate Similarity | NPC266193 |
0.7206 | Intermediate Similarity | NPC61702 |
0.7206 | Intermediate Similarity | NPC162867 |
0.7193 | Intermediate Similarity | NPC145311 |
0.7167 | Intermediate Similarity | NPC100809 |
0.7167 | Intermediate Similarity | NPC209431 |
0.7164 | Intermediate Similarity | NPC176107 |
0.7164 | Intermediate Similarity | NPC193770 |
0.7162 | Intermediate Similarity | NPC469798 |
0.7162 | Intermediate Similarity | NPC26139 |
0.7162 | Intermediate Similarity | NPC469797 |
0.7162 | Intermediate Similarity | NPC476809 |
0.7162 | Intermediate Similarity | NPC474509 |
0.7143 | Intermediate Similarity | NPC100380 |
0.7143 | Intermediate Similarity | NPC262558 |
0.7143 | Intermediate Similarity | NPC474488 |
0.7143 | Intermediate Similarity | NPC8610 |
0.7123 | Intermediate Similarity | NPC115515 |
0.7123 | Intermediate Similarity | NPC189485 |
0.7123 | Intermediate Similarity | NPC228911 |
0.7119 | Intermediate Similarity | NPC22182 |
0.7119 | Intermediate Similarity | NPC471751 |
0.7091 | Intermediate Similarity | NPC25771 |
0.7083 | Intermediate Similarity | NPC263582 |
0.7069 | Intermediate Similarity | NPC118788 |
0.7067 | Intermediate Similarity | NPC475833 |
0.7059 | Intermediate Similarity | NPC469688 |
0.7042 | Intermediate Similarity | NPC470299 |
0.7042 | Intermediate Similarity | NPC128346 |
0.7042 | Intermediate Similarity | NPC219232 |
0.7042 | Intermediate Similarity | NPC211641 |
0.7027 | Intermediate Similarity | NPC90965 |
0.7027 | Intermediate Similarity | NPC27817 |
0.7027 | Intermediate Similarity | NPC170793 |
0.7015 | Intermediate Similarity | NPC197089 |
0.7 | Intermediate Similarity | NPC304983 |
0.7 | Intermediate Similarity | NPC84790 |
0.6986 | Remote Similarity | NPC97377 |
0.6986 | Remote Similarity | NPC165711 |
0.6986 | Remote Similarity | NPC91665 |
0.6981 | Remote Similarity | NPC215118 |
0.6981 | Remote Similarity | NPC45270 |
0.6981 | Remote Similarity | NPC59570 |
0.6981 | Remote Similarity | NPC135077 |
0.6974 | Remote Similarity | NPC268122 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC115385 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 |
---|---|---|---|
0.8136 | Intermediate Similarity | NPD287 | Approved |
0.8 | Intermediate Similarity | NPD4137 | Phase 3 |
0.7879 | Intermediate Similarity | NPD4691 | Approved |
0.7879 | Intermediate Similarity | NPD4747 | Approved |
0.7794 | Intermediate Similarity | NPD4687 | Approved |
0.7794 | Intermediate Similarity | NPD4058 | Approved |
0.7576 | Intermediate Similarity | NPD3621 | Clinical (unspecified phase) |
0.7536 | Intermediate Similarity | NPD5733 | Approved |
0.75 | Intermediate Similarity | NPD5276 | Approved |
0.6883 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD8028 | Phase 2 |
0.6765 | Remote Similarity | NPD7331 | Phase 2 |
0.6753 | Remote Similarity | NPD4221 | Approved |
0.6753 | Remote Similarity | NPD4223 | Phase 3 |
0.6711 | Remote Similarity | NPD4695 | Discontinued |
0.6709 | Remote Similarity | NPD1694 | Approved |
0.6667 | Remote Similarity | NPD3617 | Approved |
0.6625 | Remote Similarity | NPD4519 | Discontinued |
0.6625 | Remote Similarity | NPD4623 | Approved |
0.6625 | Remote Similarity | NPD5690 | Phase 2 |
0.6618 | Remote Similarity | NPD7341 | Phase 2 |
0.6582 | Remote Similarity | NPD3133 | Approved |
0.6582 | Remote Similarity | NPD3666 | Approved |
0.6582 | Remote Similarity | NPD4197 | Approved |
0.6582 | Remote Similarity | NPD3665 | Phase 1 |
0.6543 | Remote Similarity | NPD3573 | Approved |
0.65 | Remote Similarity | NPD5329 | Approved |
0.6429 | Remote Similarity | NPD1799 | Clinical (unspecified phase) |
0.642 | Remote Similarity | NPD4689 | Approved |
0.642 | Remote Similarity | NPD4693 | Phase 3 |
0.642 | Remote Similarity | NPD4694 | Approved |
0.642 | Remote Similarity | NPD7521 | Approved |
0.642 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.642 | Remote Similarity | NPD4688 | Approved |
0.642 | Remote Similarity | NPD6684 | Approved |
0.642 | Remote Similarity | NPD3618 | Phase 1 |
0.642 | Remote Similarity | NPD7146 | Approved |
0.642 | Remote Similarity | NPD5280 | Approved |
0.642 | Remote Similarity | NPD5330 | Approved |
0.642 | Remote Similarity | NPD5205 | Approved |
0.642 | Remote Similarity | NPD7334 | Approved |
0.642 | Remote Similarity | NPD4690 | Approved |
0.642 | Remote Similarity | NPD4138 | Approved |
0.642 | Remote Similarity | NPD6409 | Approved |
0.6329 | Remote Similarity | NPD3667 | Approved |
0.631 | Remote Similarity | NPD5207 | Approved |
0.6271 | Remote Similarity | NPD343 | Approved |
0.6271 | Remote Similarity | NPD345 | Approved |
0.6271 | Remote Similarity | NPD344 | Approved |
0.6265 | Remote Similarity | NPD6672 | Approved |
0.6265 | Remote Similarity | NPD6903 | Approved |
0.6265 | Remote Similarity | NPD5208 | Approved |
0.6265 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6265 | Remote Similarity | NPD5737 | Approved |
0.625 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6235 | Remote Similarity | NPD6079 | Approved |
0.6235 | Remote Similarity | NPD5694 | Approved |
0.6235 | Remote Similarity | NPD5284 | Approved |
0.6235 | Remote Similarity | NPD5281 | Approved |
0.622 | Remote Similarity | NPD5279 | Phase 3 |
0.619 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD4753 | Phase 2 |
0.619 | Remote Similarity | NPD5328 | Approved |
0.619 | Remote Similarity | NPD6080 | Approved |
0.619 | Remote Similarity | NPD6904 | Approved |
0.619 | Remote Similarity | NPD6673 | Approved |
0.6176 | Remote Similarity | NPD4193 | Approved |
0.6176 | Remote Similarity | NPD4192 | Approved |
0.6176 | Remote Similarity | NPD4191 | Approved |
0.6176 | Remote Similarity | NPD4194 | Approved |
0.6173 | Remote Similarity | NPD4786 | Approved |
0.6173 | Remote Similarity | NPD3668 | Phase 3 |
0.6154 | Remote Similarity | NPD4195 | Approved |
0.6125 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6118 | Remote Similarity | NPD5692 | Phase 3 |
0.6087 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD4518 | Approved |
0.6056 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6047 | Remote Similarity | NPD7515 | Phase 2 |
0.6047 | Remote Similarity | NPD6050 | Approved |
0.6047 | Remote Similarity | NPD5693 | Phase 1 |
0.6026 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD6098 | Approved |
0.6023 | Remote Similarity | NPD4629 | Approved |
0.6023 | Remote Similarity | NPD5210 | Approved |
0.6 | Remote Similarity | NPD4692 | Approved |
0.6 | Remote Similarity | NPD4139 | Approved |
0.5977 | Remote Similarity | NPD4202 | Approved |
0.5977 | Remote Similarity | NPD5133 | Approved |
0.5955 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD5222 | Approved |
0.5955 | Remote Similarity | NPD5221 | Approved |
0.593 | Remote Similarity | NPD4096 | Approved |
0.5909 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD7748 | Approved |
0.5909 | Remote Similarity | NPD7900 | Approved |
0.5909 | Remote Similarity | NPD6001 | Approved |
0.5893 | Remote Similarity | NPD5783 | Phase 3 |
0.5889 | Remote Similarity | NPD3495 | Discontinued |
0.5889 | Remote Similarity | NPD5173 | Approved |
0.5844 | Remote Similarity | NPD8039 | Approved |
0.5843 | Remote Similarity | NPD5695 | Phase 3 |
0.5843 | Remote Similarity | NPD5654 | Approved |
0.5843 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD319 | Phase 1 |
0.5795 | Remote Similarity | NPD7631 | Approved |
0.5778 | Remote Similarity | NPD4697 | Phase 3 |
0.5778 | Remote Similarity | NPD7732 | Phase 3 |
0.5778 | Remote Similarity | NPD7614 | Phase 1 |
0.5761 | Remote Similarity | NPD5286 | Approved |
0.5761 | Remote Similarity | NPD4696 | Approved |
0.5761 | Remote Similarity | NPD5285 | Approved |
0.5732 | Remote Similarity | NPD5209 | Approved |
0.573 | Remote Similarity | NPD5282 | Discontinued |
0.5714 | Remote Similarity | NPD6083 | Phase 2 |
0.5714 | Remote Similarity | NPD5959 | Approved |
0.5714 | Remote Similarity | NPD6084 | Phase 2 |
0.5714 | Remote Similarity | NPD1696 | Phase 3 |
0.5714 | Remote Similarity | NPD4755 | Approved |
0.5714 | Remote Similarity | NPD7902 | Approved |
0.5699 | Remote Similarity | NPD5223 | Approved |
0.5682 | Remote Similarity | NPD7609 | Phase 3 |
0.5679 | Remote Similarity | NPD1507 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD4219 | Approved |
0.5663 | Remote Similarity | NPD4788 | Approved |
0.5652 | Remote Similarity | NPD5696 | Approved |
0.5638 | Remote Similarity | NPD5091 | Approved |
0.5638 | Remote Similarity | NPD5226 | Approved |
0.5638 | Remote Similarity | NPD5225 | Approved |
0.5638 | Remote Similarity | NPD5224 | Approved |
0.5638 | Remote Similarity | NPD4633 | Approved |
0.5638 | Remote Similarity | NPD5211 | Phase 2 |
0.5625 | Remote Similarity | NPD28 | Approved |
0.5625 | Remote Similarity | NPD29 | Approved |
0.5618 | Remote Similarity | NPD6399 | Phase 3 |
0.561 | Remote Similarity | NPD942 | Approved |
PubChem CID   | 5318673 |
ChEMBL   | CHEMBL1814554 |
ZINC   |
Molecular Weight:   | 220.18 |
ALogP:   | 2.8227 |
MLogP:   | 3 |
XLogP:   | 4.726 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 16 |