Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO33283 | zedoariae rhizoma | NA | NA | NA |
PMID[9871681] |
|||
NPO17780 | Curcuma heyneana | Species | Zingiberaceae | Eukaryota | Rhizomes |
PMID[23387824] |
||
NPO18068 | Curcuma phaeocaulis | Species | Zingiberaceae | Eukaryota | Rhizomes |
PMID[23755850] |
||
NPO22741 | Curcuma kwangsiensis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO18068 | Curcuma phaeocaulis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO2618 | Curcuma wenyujin | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO7929 | Curcuma zedoaria | Species | Zingiberaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 77.3 | % | 9871681 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 80.2 | % | 9871681 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 14.2 | % | 9871681 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 36.5 | % | 9871681 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Inhibition | < | 65 | % | 23387824 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 9800 | nM | 23755850 |
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 NPC152017 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 |
---|---|---|
0.9306 | High Similarity | NPC265921 |
0.9306 | High Similarity | NPC215215 |
0.9306 | High Similarity | NPC85831 |
0.8933 | High Similarity | NPC470944 |
0.8333 | Intermediate Similarity | NPC204270 |
0.8272 | Intermediate Similarity | NPC116613 |
0.8228 | Intermediate Similarity | NPC186072 |
0.8125 | Intermediate Similarity | NPC15978 |
0.7791 | Intermediate Similarity | NPC299527 |
0.7738 | Intermediate Similarity | NPC287015 |
0.7738 | Intermediate Similarity | NPC146850 |
0.7639 | Intermediate Similarity | NPC63111 |
0.7619 | Intermediate Similarity | NPC290052 |
0.7568 | Intermediate Similarity | NPC261782 |
0.7568 | Intermediate Similarity | NPC469326 |
0.7568 | Intermediate Similarity | NPC205618 |
0.7558 | Intermediate Similarity | NPC474832 |
0.75 | Intermediate Similarity | NPC471184 |
0.7407 | Intermediate Similarity | NPC476439 |
0.7403 | Intermediate Similarity | NPC144647 |
0.7386 | Intermediate Similarity | NPC205548 |
0.7349 | Intermediate Similarity | NPC76054 |
0.7326 | Intermediate Similarity | NPC119001 |
0.7326 | Intermediate Similarity | NPC470658 |
0.7317 | Intermediate Similarity | NPC4436 |
0.7294 | Intermediate Similarity | NPC471340 |
0.7273 | Intermediate Similarity | NPC475991 |
0.7262 | Intermediate Similarity | NPC59994 |
0.7262 | Intermediate Similarity | NPC78677 |
0.7229 | Intermediate Similarity | NPC476701 |
0.7209 | Intermediate Similarity | NPC474693 |
0.7195 | Intermediate Similarity | NPC103987 |
0.7195 | Intermediate Similarity | NPC53581 |
0.7179 | Intermediate Similarity | NPC474900 |
0.7159 | Intermediate Similarity | NPC191283 |
0.7143 | Intermediate Similarity | NPC59442 |
0.7126 | Intermediate Similarity | NPC471185 |
0.7126 | Intermediate Similarity | NPC473659 |
0.7126 | Intermediate Similarity | NPC475860 |
0.7126 | Intermediate Similarity | NPC474694 |
0.7123 | Intermediate Similarity | NPC52431 |
0.7123 | Intermediate Similarity | NPC310228 |
0.7111 | Intermediate Similarity | NPC37607 |
0.7111 | Intermediate Similarity | NPC301969 |
0.7089 | Intermediate Similarity | NPC471781 |
0.7073 | Intermediate Similarity | NPC476317 |
0.7059 | Intermediate Similarity | NPC471661 |
0.7051 | Intermediate Similarity | NPC224532 |
0.7045 | Intermediate Similarity | NPC67493 |
0.7045 | Intermediate Similarity | NPC311163 |
0.7024 | Intermediate Similarity | NPC17550 |
0.7011 | Intermediate Similarity | NPC154893 |
0.7011 | Intermediate Similarity | NPC37005 |
0.7011 | Intermediate Similarity | NPC16887 |
0.7011 | Intermediate Similarity | NPC53011 |
0.7 | Intermediate Similarity | NPC104129 |
0.7 | Intermediate Similarity | NPC249408 |
0.6989 | Remote Similarity | NPC67584 |
0.6989 | Remote Similarity | NPC52044 |
0.6989 | Remote Similarity | NPC170120 |
0.6988 | Remote Similarity | NPC471454 |
0.6979 | Remote Similarity | NPC176406 |
0.6962 | Remote Similarity | NPC304690 |
0.6962 | Remote Similarity | NPC74722 |
0.6957 | Remote Similarity | NPC272293 |
0.6957 | Remote Similarity | NPC242419 |
0.6957 | Remote Similarity | NPC32862 |
0.6957 | Remote Similarity | NPC235126 |
0.6957 | Remote Similarity | NPC40821 |
0.6947 | Remote Similarity | NPC221615 |
0.6941 | Remote Similarity | NPC190008 |
0.6923 | Remote Similarity | NPC470817 |
0.6923 | Remote Similarity | NPC136813 |
0.6915 | Remote Similarity | NPC213078 |
0.6915 | Remote Similarity | NPC98165 |
0.6905 | Remote Similarity | NPC477089 |
0.6905 | Remote Similarity | NPC63445 |
0.6905 | Remote Similarity | NPC222210 |
0.6897 | Remote Similarity | NPC477667 |
0.6897 | Remote Similarity | NPC472473 |
0.6892 | Remote Similarity | NPC469321 |
0.6889 | Remote Similarity | NPC242448 |
0.6882 | Remote Similarity | NPC472467 |
0.6882 | Remote Similarity | NPC470013 |
0.6882 | Remote Similarity | NPC470010 |
0.6882 | Remote Similarity | NPC127019 |
0.6882 | Remote Similarity | NPC323008 |
0.6882 | Remote Similarity | NPC262133 |
0.6875 | Remote Similarity | NPC254845 |
0.6867 | Remote Similarity | NPC126969 |
0.6854 | Remote Similarity | NPC477668 |
0.6849 | Remote Similarity | NPC278550 |
0.6842 | Remote Similarity | NPC161493 |
0.6842 | Remote Similarity | NPC474480 |
0.6842 | Remote Similarity | NPC476893 |
0.6829 | Remote Similarity | NPC309178 |
0.6818 | Remote Similarity | NPC156485 |
0.6813 | Remote Similarity | NPC470819 |
0.6809 | Remote Similarity | NPC213698 |
0.6809 | Remote Similarity | NPC476894 |
0.6795 | Remote Similarity | NPC230107 |
0.679 | Remote Similarity | NPC471660 |
0.6786 | Remote Similarity | NPC476703 |
0.6782 | Remote Similarity | NPC472465 |
0.6774 | Remote Similarity | NPC470187 |
0.6771 | Remote Similarity | NPC476895 |
0.6747 | Remote Similarity | NPC60818 |
0.6747 | Remote Similarity | NPC113639 |
0.6747 | Remote Similarity | NPC23231 |
0.6744 | Remote Similarity | NPC80622 |
0.6744 | Remote Similarity | NPC10636 |
0.6744 | Remote Similarity | NPC206062 |
0.6742 | Remote Similarity | NPC300082 |
0.6742 | Remote Similarity | NPC147921 |
0.6742 | Remote Similarity | NPC204105 |
0.6742 | Remote Similarity | NPC284534 |
0.6742 | Remote Similarity | NPC471494 |
0.6739 | Remote Similarity | NPC197107 |
0.6739 | Remote Similarity | NPC472466 |
0.6735 | Remote Similarity | NPC300399 |
0.6735 | Remote Similarity | NPC471889 |
0.6735 | Remote Similarity | NPC471482 |
0.6711 | Remote Similarity | NPC210346 |
0.6711 | Remote Similarity | NPC15152 |
0.6709 | Remote Similarity | NPC477791 |
0.6707 | Remote Similarity | NPC14352 |
0.6707 | Remote Similarity | NPC234527 |
0.6703 | Remote Similarity | NPC471952 |
0.6703 | Remote Similarity | NPC91248 |
0.6703 | Remote Similarity | NPC79549 |
0.6702 | Remote Similarity | NPC477131 |
0.6702 | Remote Similarity | NPC474338 |
0.6702 | Remote Similarity | NPC144202 |
0.6702 | Remote Similarity | NPC198853 |
0.6667 | Remote Similarity | NPC170148 |
0.6667 | Remote Similarity | NPC256720 |
0.6667 | Remote Similarity | NPC471888 |
0.6667 | Remote Similarity | NPC249034 |
0.6667 | Remote Similarity | NPC128133 |
0.6667 | Remote Similarity | NPC471887 |
0.6667 | Remote Similarity | NPC471450 |
0.6667 | Remote Similarity | NPC246621 |
0.6667 | Remote Similarity | NPC472471 |
0.6667 | Remote Similarity | NPC472379 |
0.6667 | Remote Similarity | NPC133698 |
0.6667 | Remote Similarity | NPC236228 |
0.6667 | Remote Similarity | NPC94127 |
0.6667 | Remote Similarity | NPC131209 |
0.6667 | Remote Similarity | NPC129630 |
0.6667 | Remote Similarity | NPC471886 |
0.6667 | Remote Similarity | NPC177818 |
0.6667 | Remote Similarity | NPC5698 |
0.6667 | Remote Similarity | NPC310643 |
0.6667 | Remote Similarity | NPC470041 |
0.6667 | Remote Similarity | NPC471885 |
0.6667 | Remote Similarity | NPC472468 |
0.6667 | Remote Similarity | NPC26307 |
0.6633 | Remote Similarity | NPC150923 |
0.6633 | Remote Similarity | NPC476896 |
0.6633 | Remote Similarity | NPC474022 |
0.6632 | Remote Similarity | NPC220221 |
0.6632 | Remote Similarity | NPC469873 |
0.663 | Remote Similarity | NPC215556 |
0.6628 | Remote Similarity | NPC55304 |
0.6628 | Remote Similarity | NPC86971 |
0.6628 | Remote Similarity | NPC226226 |
0.6627 | Remote Similarity | NPC471659 |
0.6627 | Remote Similarity | NPC190859 |
0.6625 | Remote Similarity | NPC470040 |
0.6625 | Remote Similarity | NPC305698 |
0.6625 | Remote Similarity | NPC167527 |
0.6623 | Remote Similarity | NPC473508 |
0.66 | Remote Similarity | NPC472819 |
0.6598 | Remote Similarity | NPC64742 |
0.6598 | Remote Similarity | NPC244411 |
0.6598 | Remote Similarity | NPC470541 |
0.6598 | Remote Similarity | NPC309493 |
0.6596 | Remote Similarity | NPC135776 |
0.6596 | Remote Similarity | NPC258216 |
0.6596 | Remote Similarity | NPC27531 |
0.6593 | Remote Similarity | NPC471657 |
0.6593 | Remote Similarity | NPC45957 |
0.6591 | Remote Similarity | NPC109938 |
0.6591 | Remote Similarity | NPC122945 |
0.6588 | Remote Similarity | NPC474826 |
0.6588 | Remote Similarity | NPC477426 |
0.6588 | Remote Similarity | NPC84360 |
0.6588 | Remote Similarity | NPC477425 |
0.6588 | Remote Similarity | NPC477427 |
0.6585 | Remote Similarity | NPC469343 |
0.6582 | Remote Similarity | NPC469328 |
0.6582 | Remote Similarity | NPC311736 |
0.6582 | Remote Similarity | NPC267027 |
0.6582 | Remote Similarity | NPC162309 |
0.6579 | Remote Similarity | NPC323153 |
0.6579 | Remote Similarity | NPC135648 |
0.6579 | Remote Similarity | NPC252809 |
0.6579 | Remote Similarity | NPC66020 |
0.6566 | Remote Similarity | NPC37207 |
0.6559 | Remote Similarity | NPC295668 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC152017 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 |
---|---|---|---|
0.6818 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6705 | Remote Similarity | NPD6695 | Phase 3 |
0.6556 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6552 | Remote Similarity | NPD6931 | Approved |
0.6552 | Remote Similarity | NPD6930 | Phase 2 |
0.6484 | Remote Similarity | NPD4249 | Approved |
0.6437 | Remote Similarity | NPD6929 | Approved |
0.6413 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6413 | Remote Similarity | NPD4250 | Approved |
0.6413 | Remote Similarity | NPD7750 | Discontinued |
0.6413 | Remote Similarity | NPD4251 | Approved |
0.6413 | Remote Similarity | NPD7524 | Approved |
0.6364 | Remote Similarity | NPD7514 | Phase 3 |
0.6333 | Remote Similarity | NPD5362 | Discontinued |
0.6282 | Remote Similarity | NPD368 | Approved |
0.6277 | Remote Similarity | NPD1695 | Approved |
0.6235 | Remote Similarity | NPD4784 | Approved |
0.6235 | Remote Similarity | NPD6924 | Approved |
0.6235 | Remote Similarity | NPD4785 | Approved |
0.6235 | Remote Similarity | NPD6926 | Approved |
0.6207 | Remote Similarity | NPD5776 | Phase 2 |
0.6207 | Remote Similarity | NPD6925 | Approved |
0.6196 | Remote Similarity | NPD6893 | Approved |
0.619 | Remote Similarity | NPD4243 | Approved |
0.618 | Remote Similarity | NPD4822 | Approved |
0.618 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.618 | Remote Similarity | NPD4819 | Approved |
0.618 | Remote Similarity | NPD4820 | Approved |
0.618 | Remote Similarity | NPD4821 | Approved |
0.618 | Remote Similarity | NPD7332 | Phase 2 |
0.6154 | Remote Similarity | NPD5332 | Approved |
0.6154 | Remote Similarity | NPD5331 | Approved |
0.6154 | Remote Similarity | NPD1145 | Discontinued |
0.6146 | Remote Similarity | NPD7087 | Discontinued |
0.6136 | Remote Similarity | NPD7145 | Approved |
0.6111 | Remote Similarity | NPD6902 | Approved |
0.6111 | Remote Similarity | NPD4790 | Discontinued |
0.61 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6092 | Remote Similarity | NPD6933 | Approved |
0.6036 | Remote Similarity | NPD7327 | Approved |
0.6036 | Remote Similarity | NPD7328 | Approved |
0.6023 | Remote Similarity | NPD6932 | Approved |
0.6019 | Remote Similarity | NPD6053 | Discontinued |
0.6018 | Remote Similarity | NPD8033 | Approved |
0.6 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5982 | Remote Similarity | NPD7516 | Approved |
0.5979 | Remote Similarity | NPD7637 | Suspended |
0.5977 | Remote Similarity | NPD5275 | Approved |
0.5977 | Remote Similarity | NPD4190 | Phase 3 |
0.5955 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD4271 | Approved |
0.5955 | Remote Similarity | NPD4268 | Approved |
0.5938 | Remote Similarity | NPD6051 | Approved |
0.5934 | Remote Similarity | NPD6898 | Phase 1 |
0.5929 | Remote Similarity | NPD8377 | Approved |
0.5929 | Remote Similarity | NPD8294 | Approved |
0.5926 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD342 | Phase 1 |
0.5909 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5889 | Remote Similarity | NPD4195 | Approved |
0.5889 | Remote Similarity | NPD6683 | Phase 2 |
0.5882 | Remote Similarity | NPD7640 | Approved |
0.5882 | Remote Similarity | NPD7639 | Approved |
0.5877 | Remote Similarity | NPD8296 | Approved |
0.5877 | Remote Similarity | NPD8335 | Approved |
0.5877 | Remote Similarity | NPD8380 | Approved |
0.5877 | Remote Similarity | NPD8378 | Approved |
0.5877 | Remote Similarity | NPD8379 | Approved |
0.5876 | Remote Similarity | NPD6698 | Approved |
0.5876 | Remote Similarity | NPD46 | Approved |
0.5859 | Remote Similarity | NPD5282 | Discontinued |
0.5825 | Remote Similarity | NPD5344 | Discontinued |
0.5824 | Remote Similarity | NPD7509 | Discontinued |
0.5824 | Remote Similarity | NPD7525 | Registered |
0.5795 | Remote Similarity | NPD7339 | Approved |
0.5795 | Remote Similarity | NPD6942 | Approved |
0.5784 | Remote Similarity | NPD7638 | Approved |
0.5765 | Remote Similarity | NPD6922 | Approved |
0.5765 | Remote Similarity | NPD6923 | Approved |
0.5745 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5739 | Remote Similarity | NPD7503 | Approved |
0.5728 | Remote Similarity | NPD6648 | Approved |
0.5714 | Remote Similarity | NPD5785 | Approved |
0.5714 | Remote Similarity | NPD3168 | Discontinued |
0.5714 | Remote Similarity | NPD7838 | Discovery |
0.5699 | Remote Similarity | NPD4270 | Approved |
0.5699 | Remote Similarity | NPD4223 | Phase 3 |
0.5699 | Remote Similarity | NPD4269 | Approved |
0.5699 | Remote Similarity | NPD4221 | Approved |
0.5698 | Remote Similarity | NPD7144 | Approved |
0.5698 | Remote Similarity | NPD7143 | Approved |
0.5688 | Remote Similarity | NPD6371 | Approved |
0.5678 | Remote Similarity | NPD7507 | Approved |
0.5663 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD5693 | Phase 1 |
0.5652 | Remote Similarity | NPD4748 | Discontinued |
0.5652 | Remote Similarity | NPD6928 | Phase 2 |
0.5648 | Remote Similarity | NPD6686 | Approved |
0.5644 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5638 | Remote Similarity | NPD7154 | Phase 3 |
0.5632 | Remote Similarity | NPD7150 | Approved |
0.5632 | Remote Similarity | NPD7152 | Approved |
0.5632 | Remote Similarity | NPD7151 | Approved |
0.5631 | Remote Similarity | NPD4225 | Approved |
0.5625 | Remote Similarity | NPD5786 | Approved |
0.5604 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6399 | Phase 3 |
0.56 | Remote Similarity | NPD5778 | Approved |
0.56 | Remote Similarity | NPD5779 | Approved |
PubChem CID   | 12310886 |
ChEMBL   | CHEMBL2367911 |
ZINC   |
Molecular Weight:   | 234.16 |
ALogP:   | 1.9871 |
MLogP:   | 2.89 |
XLogP:   | 1.427 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 29.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 17 |