Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TCM_Taiwan* | |||
NPO10000 | Rehmanniae radix praeparata | NA | NA | NA | TCMSP* | |||
NPO29552 | Picrorhizae rhizoma | NA | NA | NA | TCMSP* | |||
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TCMID* | |||
NPO18120 | Radix rehmanniae | Species | Lymnaeidae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT918 | Individual Protein | Heat shock protein HSP 90-alpha | Homo sapiens | Kd | = | 2388 | nM | 23362862 |
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 NPC248427 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 |
---|---|---|
0.8873 | High Similarity | NPC470659 |
0.8873 | High Similarity | NPC470660 |
0.8767 | High Similarity | NPC279575 |
0.8667 | High Similarity | NPC170595 |
0.7922 | Intermediate Similarity | NPC188793 |
0.7683 | Intermediate Similarity | NPC474156 |
0.7619 | Intermediate Similarity | NPC31349 |
0.7619 | Intermediate Similarity | NPC472396 |
0.7531 | Intermediate Similarity | NPC216941 |
0.75 | Intermediate Similarity | NPC470657 |
0.7471 | Intermediate Similarity | NPC59006 |
0.7439 | Intermediate Similarity | NPC475849 |
0.7416 | Intermediate Similarity | NPC473065 |
0.7416 | Intermediate Similarity | NPC473067 |
0.7416 | Intermediate Similarity | NPC474399 |
0.7416 | Intermediate Similarity | NPC473064 |
0.7412 | Intermediate Similarity | NPC258501 |
0.7386 | Intermediate Similarity | NPC167644 |
0.7386 | Intermediate Similarity | NPC311246 |
0.7356 | Intermediate Similarity | NPC473542 |
0.7349 | Intermediate Similarity | NPC474266 |
0.7326 | Intermediate Similarity | NPC148534 |
0.7326 | Intermediate Similarity | NPC470009 |
0.7308 | Intermediate Similarity | NPC166250 |
0.7308 | Intermediate Similarity | NPC138273 |
0.7303 | Intermediate Similarity | NPC3538 |
0.7303 | Intermediate Similarity | NPC113500 |
0.7303 | Intermediate Similarity | NPC175 |
0.7303 | Intermediate Similarity | NPC30687 |
0.7303 | Intermediate Similarity | NPC477224 |
0.7303 | Intermediate Similarity | NPC45959 |
0.7303 | Intermediate Similarity | NPC252253 |
0.7294 | Intermediate Similarity | NPC149018 |
0.7294 | Intermediate Similarity | NPC171484 |
0.7273 | Intermediate Similarity | NPC36372 |
0.7273 | Intermediate Similarity | NPC5632 |
0.7273 | Intermediate Similarity | NPC149966 |
0.7273 | Intermediate Similarity | NPC235051 |
0.7262 | Intermediate Similarity | NPC98276 |
0.7262 | Intermediate Similarity | NPC259296 |
0.7253 | Intermediate Similarity | NPC274200 |
0.7253 | Intermediate Similarity | NPC233649 |
0.7253 | Intermediate Similarity | NPC470028 |
0.725 | Intermediate Similarity | NPC214030 |
0.725 | Intermediate Similarity | NPC70996 |
0.725 | Intermediate Similarity | NPC83108 |
0.7241 | Intermediate Similarity | NPC228059 |
0.7241 | Intermediate Similarity | NPC102725 |
0.7241 | Intermediate Similarity | NPC22918 |
0.7241 | Intermediate Similarity | NPC20822 |
0.7241 | Intermediate Similarity | NPC82955 |
0.7209 | Intermediate Similarity | NPC210658 |
0.7209 | Intermediate Similarity | NPC161928 |
0.72 | Intermediate Similarity | NPC477758 |
0.72 | Intermediate Similarity | NPC477761 |
0.72 | Intermediate Similarity | NPC477760 |
0.72 | Intermediate Similarity | NPC477754 |
0.72 | Intermediate Similarity | NPC477759 |
0.7191 | Intermediate Similarity | NPC144790 |
0.7191 | Intermediate Similarity | NPC149400 |
0.7191 | Intermediate Similarity | NPC249204 |
0.7191 | Intermediate Similarity | NPC234352 |
0.7191 | Intermediate Similarity | NPC88962 |
0.7191 | Intermediate Similarity | NPC177834 |
0.7191 | Intermediate Similarity | NPC297348 |
0.7191 | Intermediate Similarity | NPC477451 |
0.7191 | Intermediate Similarity | NPC141769 |
0.7191 | Intermediate Similarity | NPC277774 |
0.7191 | Intermediate Similarity | NPC477547 |
0.7191 | Intermediate Similarity | NPC325828 |
0.7191 | Intermediate Similarity | NPC250393 |
0.7191 | Intermediate Similarity | NPC48339 |
0.7176 | Intermediate Similarity | NPC290612 |
0.7159 | Intermediate Similarity | NPC279329 |
0.7159 | Intermediate Similarity | NPC223143 |
0.7143 | Intermediate Similarity | NPC304011 |
0.7143 | Intermediate Similarity | NPC219040 |
0.7143 | Intermediate Similarity | NPC471879 |
0.7143 | Intermediate Similarity | NPC476510 |
0.7143 | Intermediate Similarity | NPC142264 |
0.7143 | Intermediate Similarity | NPC139271 |
0.7126 | Intermediate Similarity | NPC281004 |
0.7126 | Intermediate Similarity | NPC128475 |
0.7111 | Intermediate Similarity | NPC179859 |
0.7111 | Intermediate Similarity | NPC312678 |
0.7111 | Intermediate Similarity | NPC264101 |
0.7111 | Intermediate Similarity | NPC291547 |
0.7111 | Intermediate Similarity | NPC291203 |
0.7111 | Intermediate Similarity | NPC294686 |
0.7111 | Intermediate Similarity | NPC24960 |
0.7111 | Intermediate Similarity | NPC309866 |
0.7111 | Intermediate Similarity | NPC475436 |
0.7111 | Intermediate Similarity | NPC217205 |
0.7111 | Intermediate Similarity | NPC473774 |
0.7111 | Intermediate Similarity | NPC174024 |
0.7111 | Intermediate Similarity | NPC222731 |
0.7111 | Intermediate Similarity | NPC253268 |
0.7111 | Intermediate Similarity | NPC471464 |
0.7111 | Intermediate Similarity | NPC473851 |
0.7111 | Intermediate Similarity | NPC131693 |
0.7089 | Intermediate Similarity | NPC308489 |
0.7083 | Intermediate Similarity | NPC472026 |
0.7079 | Intermediate Similarity | NPC210759 |
0.7079 | Intermediate Similarity | NPC229801 |
0.7079 | Intermediate Similarity | NPC307167 |
0.7079 | Intermediate Similarity | NPC276298 |
0.7079 | Intermediate Similarity | NPC293609 |
0.7067 | Intermediate Similarity | NPC477764 |
0.7067 | Intermediate Similarity | NPC477756 |
0.7067 | Intermediate Similarity | NPC477752 |
0.7067 | Intermediate Similarity | NPC477751 |
0.7065 | Intermediate Similarity | NPC477223 |
0.7065 | Intermediate Similarity | NPC477222 |
0.7065 | Intermediate Similarity | NPC470684 |
0.7065 | Intermediate Similarity | NPC470683 |
0.7059 | Intermediate Similarity | NPC227260 |
0.7045 | Intermediate Similarity | NPC473472 |
0.7033 | Intermediate Similarity | NPC92196 |
0.7033 | Intermediate Similarity | NPC107188 |
0.7033 | Intermediate Similarity | NPC473610 |
0.7033 | Intermediate Similarity | NPC211354 |
0.7033 | Intermediate Similarity | NPC475351 |
0.7033 | Intermediate Similarity | NPC19400 |
0.7033 | Intermediate Similarity | NPC473727 |
0.7033 | Intermediate Similarity | NPC107962 |
0.7033 | Intermediate Similarity | NPC206003 |
0.7033 | Intermediate Similarity | NPC6295 |
0.7027 | Intermediate Similarity | NPC476702 |
0.7024 | Intermediate Similarity | NPC470611 |
0.7011 | Intermediate Similarity | NPC43912 |
0.7011 | Intermediate Similarity | NPC140446 |
0.6989 | Remote Similarity | NPC473638 |
0.6989 | Remote Similarity | NPC291548 |
0.6977 | Remote Similarity | NPC232044 |
0.6977 | Remote Similarity | NPC273290 |
0.6966 | Remote Similarity | NPC65550 |
0.6957 | Remote Similarity | NPC128572 |
0.6957 | Remote Similarity | NPC98018 |
0.6957 | Remote Similarity | NPC121453 |
0.6957 | Remote Similarity | NPC470863 |
0.6957 | Remote Similarity | NPC84111 |
0.6957 | Remote Similarity | NPC473601 |
0.6957 | Remote Similarity | NPC103616 |
0.6957 | Remote Similarity | NPC475625 |
0.6957 | Remote Similarity | NPC470865 |
0.6957 | Remote Similarity | NPC30856 |
0.6957 | Remote Similarity | NPC470864 |
0.6957 | Remote Similarity | NPC156377 |
0.6957 | Remote Similarity | NPC287483 |
0.6957 | Remote Similarity | NPC470866 |
0.6957 | Remote Similarity | NPC195297 |
0.6957 | Remote Similarity | NPC475643 |
0.6957 | Remote Similarity | NPC97700 |
0.6957 | Remote Similarity | NPC132080 |
0.6957 | Remote Similarity | NPC473287 |
0.6957 | Remote Similarity | NPC116756 |
0.6957 | Remote Similarity | NPC284104 |
0.6957 | Remote Similarity | NPC232037 |
0.6957 | Remote Similarity | NPC184617 |
0.6957 | Remote Similarity | NPC160426 |
0.6951 | Remote Similarity | NPC177343 |
0.6951 | Remote Similarity | NPC272841 |
0.6947 | Remote Similarity | NPC470029 |
0.6947 | Remote Similarity | NPC134967 |
0.6947 | Remote Similarity | NPC114700 |
0.6947 | Remote Similarity | NPC310138 |
0.6941 | Remote Similarity | NPC69953 |
0.6933 | Remote Similarity | NPC165069 |
0.6923 | Remote Similarity | NPC473503 |
0.6923 | Remote Similarity | NPC475325 |
0.6923 | Remote Similarity | NPC305418 |
0.6915 | Remote Similarity | NPC470030 |
0.6901 | Remote Similarity | NPC119425 |
0.6901 | Remote Similarity | NPC322148 |
0.6897 | Remote Similarity | NPC107603 |
0.6897 | Remote Similarity | NPC268633 |
0.6897 | Remote Similarity | NPC471240 |
0.6889 | Remote Similarity | NPC274274 |
0.6889 | Remote Similarity | NPC473150 |
0.6889 | Remote Similarity | NPC473637 |
0.6889 | Remote Similarity | NPC294643 |
0.6889 | Remote Similarity | NPC473830 |
0.6889 | Remote Similarity | NPC476668 |
0.6889 | Remote Similarity | NPC204881 |
0.6882 | Remote Similarity | NPC307534 |
0.6882 | Remote Similarity | NPC470861 |
0.6882 | Remote Similarity | NPC476112 |
0.6882 | Remote Similarity | NPC470862 |
0.6882 | Remote Similarity | NPC51520 |
0.6882 | Remote Similarity | NPC83137 |
0.6882 | Remote Similarity | NPC303069 |
0.6882 | Remote Similarity | NPC261372 |
0.6882 | Remote Similarity | NPC475207 |
0.6882 | Remote Similarity | NPC263674 |
0.6882 | Remote Similarity | NPC232611 |
0.6882 | Remote Similarity | NPC115165 |
0.6882 | Remote Similarity | NPC58267 |
0.6875 | Remote Similarity | NPC470630 |
0.6866 | Remote Similarity | NPC323574 |
0.6854 | Remote Similarity | NPC50464 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC248427 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 |
---|---|---|---|
0.7191 | Intermediate Similarity | NPD8171 | Discontinued |
0.6812 | Remote Similarity | NPD894 | Approved |
0.6812 | Remote Similarity | NPD895 | Approved |
0.6812 | Remote Similarity | NPD887 | Approved |
0.6812 | Remote Similarity | NPD889 | Approved |
0.6786 | Remote Similarity | NPD6928 | Phase 2 |
0.6761 | Remote Similarity | NPD2267 | Suspended |
0.6667 | Remote Similarity | NPD1811 | Approved |
0.6667 | Remote Similarity | NPD1810 | Approved |
0.6633 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.6633 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD905 | Approved |
0.6522 | Remote Similarity | NPD904 | Phase 3 |
0.6465 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD371 | Approved |
0.6338 | Remote Similarity | NPD891 | Phase 3 |
0.6338 | Remote Similarity | NPD888 | Phase 3 |
0.6338 | Remote Similarity | NPD893 | Approved |
0.6338 | Remote Similarity | NPD892 | Phase 3 |
0.6338 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD8998 | Phase 2 |
0.6269 | Remote Similarity | NPD9000 | Phase 3 |
0.6269 | Remote Similarity | NPD8993 | Phase 1 |
0.6269 | Remote Similarity | NPD8999 | Phase 3 |
0.6269 | Remote Similarity | NPD8997 | Approved |
0.6197 | Remote Similarity | NPD2269 | Approved |
0.6098 | Remote Similarity | NPD2687 | Approved |
0.6098 | Remote Similarity | NPD2686 | Approved |
0.6098 | Remote Similarity | NPD2254 | Approved |
0.6087 | Remote Similarity | NPD8965 | Approved |
0.6087 | Remote Similarity | NPD8966 | Approved |
0.6026 | Remote Similarity | NPD847 | Phase 1 |
0.597 | Remote Similarity | NPD9006 | Approved |
0.5865 | Remote Similarity | NPD6412 | Phase 2 |
0.5824 | Remote Similarity | NPD3669 | Approved |
0.5824 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD8788 | Approved |
0.5816 | Remote Similarity | NPD7991 | Discontinued |
0.5795 | Remote Similarity | NPD4238 | Approved |
0.5795 | Remote Similarity | NPD4802 | Phase 2 |
0.5769 | Remote Similarity | NPD6123 | Approved |
0.5766 | Remote Similarity | NPD7328 | Approved |
0.5766 | Remote Similarity | NPD7327 | Approved |
0.5752 | Remote Similarity | NPD8033 | Approved |
0.575 | Remote Similarity | NPD1457 | Discontinued |
0.5714 | Remote Similarity | NPD7516 | Approved |
0.5686 | Remote Similarity | NPD1700 | Approved |
0.5676 | Remote Similarity | NPD9036 | Phase 3 |
0.5676 | Remote Similarity | NPD9035 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD8377 | Approved |
0.5664 | Remote Similarity | NPD8294 | Approved |
0.5614 | Remote Similarity | NPD8380 | Approved |
0.5614 | Remote Similarity | NPD8296 | Approved |
0.5614 | Remote Similarity | NPD8379 | Approved |
0.5614 | Remote Similarity | NPD8378 | Approved |
0.5614 | Remote Similarity | NPD8335 | Approved |
PubChem CID   | 5320903 |
ChEMBL   | CHEMBL2332356 |
ZINC   |
Molecular Weight:   | 202.08 |
ALogP:   | -2.8196 |
MLogP:   | 1.9 |
XLogP:   | -0.968 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 79.15 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 3 |
# Rings:   | 3 |
# Heavy Atoms:   | 14 |