Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO24059 | Agathosma recurvifolia | Species | Rutaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 2.1 | nM | PubChem BioAssay data set |
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 NPC21035 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 |
---|---|---|
0.8021 | Intermediate Similarity | NPC135799 |
0.7812 | Intermediate Similarity | NPC473537 |
0.7732 | Intermediate Similarity | NPC475249 |
0.7732 | Intermediate Similarity | NPC252564 |
0.7723 | Intermediate Similarity | NPC244982 |
0.7723 | Intermediate Similarity | NPC476756 |
0.7653 | Intermediate Similarity | NPC201712 |
0.7604 | Intermediate Similarity | NPC155985 |
0.7576 | Intermediate Similarity | NPC118275 |
0.7576 | Intermediate Similarity | NPC475518 |
0.7561 | Intermediate Similarity | NPC271640 |
0.7528 | Intermediate Similarity | NPC109533 |
0.7426 | Intermediate Similarity | NPC241879 |
0.7423 | Intermediate Similarity | NPC174117 |
0.7195 | Intermediate Similarity | NPC469970 |
0.7157 | Intermediate Similarity | NPC176012 |
0.7157 | Intermediate Similarity | NPC470592 |
0.7157 | Intermediate Similarity | NPC476755 |
0.71 | Intermediate Similarity | NPC474164 |
0.7083 | Intermediate Similarity | NPC323156 |
0.7083 | Intermediate Similarity | NPC135005 |
0.7075 | Intermediate Similarity | NPC473994 |
0.7073 | Intermediate Similarity | NPC53276 |
0.7071 | Intermediate Similarity | NPC272732 |
0.7071 | Intermediate Similarity | NPC311164 |
0.7059 | Intermediate Similarity | NPC124384 |
0.7045 | Intermediate Similarity | NPC477002 |
0.6966 | Remote Similarity | NPC25110 |
0.6957 | Remote Similarity | NPC192456 |
0.6931 | Remote Similarity | NPC292819 |
0.6887 | Remote Similarity | NPC83047 |
0.6887 | Remote Similarity | NPC8009 |
0.6887 | Remote Similarity | NPC267217 |
0.6887 | Remote Similarity | NPC48127 |
0.6881 | Remote Similarity | NPC124358 |
0.6867 | Remote Similarity | NPC69149 |
0.686 | Remote Similarity | NPC245223 |
0.6837 | Remote Similarity | NPC312637 |
0.6832 | Remote Similarity | NPC476903 |
0.6822 | Remote Similarity | NPC159367 |
0.6822 | Remote Similarity | NPC470595 |
0.6789 | Remote Similarity | NPC66862 |
0.6786 | Remote Similarity | NPC474380 |
0.6786 | Remote Similarity | NPC473276 |
0.6786 | Remote Similarity | NPC41577 |
0.6697 | Remote Similarity | NPC72753 |
0.6697 | Remote Similarity | NPC139778 |
0.6667 | Remote Similarity | NPC281540 |
0.6667 | Remote Similarity | NPC118937 |
0.6667 | Remote Similarity | NPC84171 |
0.6667 | Remote Similarity | NPC159654 |
0.6667 | Remote Similarity | NPC167995 |
0.6628 | Remote Similarity | NPC475884 |
0.6628 | Remote Similarity | NPC473230 |
0.6627 | Remote Similarity | NPC71460 |
0.6627 | Remote Similarity | NPC148174 |
0.6627 | Remote Similarity | NPC218585 |
0.6606 | Remote Similarity | NPC253645 |
0.6606 | Remote Similarity | NPC95920 |
0.6606 | Remote Similarity | NPC85001 |
0.6606 | Remote Similarity | NPC147835 |
0.6604 | Remote Similarity | NPC98765 |
0.6588 | Remote Similarity | NPC475943 |
0.6588 | Remote Similarity | NPC190827 |
0.6588 | Remote Similarity | NPC243469 |
0.6585 | Remote Similarity | NPC21781 |
0.6549 | Remote Similarity | NPC476955 |
0.6548 | Remote Similarity | NPC477740 |
0.6548 | Remote Similarity | NPC114891 |
0.6542 | Remote Similarity | NPC470596 |
0.6531 | Remote Similarity | NPC43308 |
0.6522 | Remote Similarity | NPC475340 |
0.6517 | Remote Similarity | NPC110615 |
0.6512 | Remote Similarity | NPC44122 |
0.6477 | Remote Similarity | NPC299948 |
0.6477 | Remote Similarity | NPC477820 |
0.6477 | Remote Similarity | NPC241085 |
0.6477 | Remote Similarity | NPC470830 |
0.6463 | Remote Similarity | NPC476735 |
0.6437 | Remote Similarity | NPC63190 |
0.6404 | Remote Similarity | NPC63588 |
0.6404 | Remote Similarity | NPC251201 |
0.6404 | Remote Similarity | NPC232925 |
0.6404 | Remote Similarity | NPC120167 |
0.6404 | Remote Similarity | NPC473442 |
0.6381 | Remote Similarity | NPC220111 |
0.6355 | Remote Similarity | NPC471083 |
0.6346 | Remote Similarity | NPC289140 |
0.6333 | Remote Similarity | NPC195530 |
0.6333 | Remote Similarity | NPC473279 |
0.633 | Remote Similarity | NPC55462 |
0.6327 | Remote Similarity | NPC75810 |
0.6322 | Remote Similarity | NPC142712 |
0.6289 | Remote Similarity | NPC323180 |
0.6273 | Remote Similarity | NPC25340 |
0.6273 | Remote Similarity | NPC317534 |
0.6264 | Remote Similarity | NPC153719 |
0.6264 | Remote Similarity | NPC472341 |
0.6264 | Remote Similarity | NPC473238 |
0.6264 | Remote Similarity | NPC195489 |
0.6264 | Remote Similarity | NPC470610 |
0.6264 | Remote Similarity | NPC310766 |
0.625 | Remote Similarity | NPC48079 |
0.625 | Remote Similarity | NPC472313 |
0.6237 | Remote Similarity | NPC470145 |
0.6226 | Remote Similarity | NPC91604 |
0.6224 | Remote Similarity | NPC175419 |
0.6214 | Remote Similarity | NPC476753 |
0.6214 | Remote Similarity | NPC476752 |
0.6211 | Remote Similarity | NPC287452 |
0.6207 | Remote Similarity | NPC221196 |
0.6207 | Remote Similarity | NPC39485 |
0.6204 | Remote Similarity | NPC50815 |
0.6196 | Remote Similarity | NPC478130 |
0.6196 | Remote Similarity | NPC254509 |
0.6196 | Remote Similarity | NPC477508 |
0.6196 | Remote Similarity | NPC49168 |
0.6196 | Remote Similarity | NPC145552 |
0.6196 | Remote Similarity | NPC304499 |
0.6196 | Remote Similarity | NPC196358 |
0.6196 | Remote Similarity | NPC48795 |
0.6196 | Remote Similarity | NPC5046 |
0.6195 | Remote Similarity | NPC79238 |
0.6195 | Remote Similarity | NPC474459 |
0.6186 | Remote Similarity | NPC99905 |
0.6186 | Remote Similarity | NPC470593 |
0.6186 | Remote Similarity | NPC470594 |
0.6186 | Remote Similarity | NPC96080 |
0.6186 | Remote Similarity | NPC208118 |
0.6182 | Remote Similarity | NPC195841 |
0.6182 | Remote Similarity | NPC233256 |
0.6182 | Remote Similarity | NPC36497 |
0.618 | Remote Similarity | NPC472741 |
0.617 | Remote Similarity | NPC476233 |
0.6163 | Remote Similarity | NPC209686 |
0.6163 | Remote Similarity | NPC236099 |
0.6163 | Remote Similarity | NPC249078 |
0.6154 | Remote Similarity | NPC164045 |
0.6154 | Remote Similarity | NPC475887 |
0.6147 | Remote Similarity | NPC474583 |
0.614 | Remote Similarity | NPC474452 |
0.6132 | Remote Similarity | NPC140300 |
0.6129 | Remote Similarity | NPC70982 |
0.6129 | Remote Similarity | NPC273366 |
0.6129 | Remote Similarity | NPC230704 |
0.6129 | Remote Similarity | NPC200243 |
0.6129 | Remote Similarity | NPC317242 |
0.6122 | Remote Similarity | NPC246956 |
0.6121 | Remote Similarity | NPC28280 |
0.6121 | Remote Similarity | NPC304646 |
0.6111 | Remote Similarity | NPC321732 |
0.6111 | Remote Similarity | NPC324607 |
0.6111 | Remote Similarity | NPC107919 |
0.6111 | Remote Similarity | NPC99264 |
0.6111 | Remote Similarity | NPC129829 |
0.6111 | Remote Similarity | NPC66407 |
0.6111 | Remote Similarity | NPC254037 |
0.6106 | Remote Similarity | NPC287764 |
0.6106 | Remote Similarity | NPC472359 |
0.6102 | Remote Similarity | NPC35037 |
0.61 | Remote Similarity | NPC270957 |
0.61 | Remote Similarity | NPC171698 |
0.61 | Remote Similarity | NPC321340 |
0.61 | Remote Similarity | NPC56107 |
0.61 | Remote Similarity | NPC119633 |
0.6091 | Remote Similarity | NPC212874 |
0.6087 | Remote Similarity | NPC472506 |
0.6082 | Remote Similarity | NPC257962 |
0.6082 | Remote Similarity | NPC469745 |
0.6071 | Remote Similarity | NPC162685 |
0.6064 | Remote Similarity | NPC163597 |
0.6055 | Remote Similarity | NPC247060 |
0.6044 | Remote Similarity | NPC231945 |
0.6044 | Remote Similarity | NPC192192 |
0.6044 | Remote Similarity | NPC282454 |
0.6042 | Remote Similarity | NPC211322 |
0.604 | Remote Similarity | NPC320478 |
0.6023 | Remote Similarity | NPC472946 |
0.6022 | Remote Similarity | NPC472854 |
0.602 | Remote Similarity | NPC475388 |
0.6 | Remote Similarity | NPC476498 |
0.6 | Remote Similarity | NPC264602 |
0.6 | Remote Similarity | NPC128951 |
0.6 | Remote Similarity | NPC105208 |
0.6 | Remote Similarity | NPC302578 |
0.6 | Remote Similarity | NPC280710 |
0.6 | Remote Similarity | NPC257191 |
0.6 | Remote Similarity | NPC475031 |
0.6 | Remote Similarity | NPC95958 |
0.6 | Remote Similarity | NPC192046 |
0.6 | Remote Similarity | NPC243985 |
0.6 | Remote Similarity | NPC185915 |
0.6 | Remote Similarity | NPC476754 |
0.6 | Remote Similarity | NPC474756 |
0.6 | Remote Similarity | NPC331618 |
0.6 | Remote Similarity | NPC477227 |
0.6 | Remote Similarity | NPC56796 |
0.5984 | Remote Similarity | NPC296686 |
0.5983 | Remote Similarity | NPC165396 |
0.598 | Remote Similarity | NPC283751 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC21035 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 |
---|---|---|---|
0.7812 | Intermediate Similarity | NPD7920 | Phase 3 |
0.7812 | Intermediate Similarity | NPD7919 | Phase 3 |
0.7732 | Intermediate Similarity | NPD8088 | Phase 1 |
0.7312 | Intermediate Similarity | NPD8308 | Discontinued |
0.6574 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.6404 | Remote Similarity | NPD4787 | Phase 1 |
0.633 | Remote Similarity | NPD6920 | Discontinued |
0.6321 | Remote Similarity | NPD8418 | Phase 2 |
0.6283 | Remote Similarity | NPD7336 | Phase 2 |
0.6283 | Remote Similarity | NPD7335 | Phase 2 |
0.6283 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD7991 | Discontinued |
0.6222 | Remote Similarity | NPD4244 | Approved |
0.6222 | Remote Similarity | NPD4245 | Approved |
0.6216 | Remote Similarity | NPD6415 | Discontinued |
0.618 | Remote Similarity | NPD6705 | Phase 1 |
0.6147 | Remote Similarity | NPD7911 | Approved |
0.6147 | Remote Similarity | NPD7986 | Approved |
0.6147 | Remote Similarity | NPD7912 | Approved |
0.6147 | Remote Similarity | NPD7987 | Approved |
0.6121 | Remote Similarity | NPD7755 | Approved |
0.6121 | Remote Similarity | NPD7754 | Approved |
0.6111 | Remote Similarity | NPD3698 | Phase 2 |
0.6111 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD8298 | Phase 2 |
0.6071 | Remote Similarity | NPD8174 | Phase 2 |
0.6036 | Remote Similarity | NPD8040 | Discontinued |
0.6 | Remote Similarity | NPD5771 | Approved |
0.5982 | Remote Similarity | NPD7990 | Approved |
0.5982 | Remote Similarity | NPD7989 | Approved |
0.5978 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5978 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD4789 | Approved |
0.5865 | Remote Similarity | NPD6700 | Approved |
0.5865 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.5851 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD6928 | Phase 2 |
0.581 | Remote Similarity | NPD6703 | Approved |
0.581 | Remote Similarity | NPD6702 | Approved |
0.5761 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5761 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD6117 | Approved |
0.5726 | Remote Similarity | NPD8077 | Approved |
0.5726 | Remote Similarity | NPD8078 | Approved |
0.5714 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD2636 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD2637 | Approved |
0.567 | Remote Similarity | NPD6116 | Phase 1 |
0.5667 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD6942 | Approved |
0.5625 | Remote Similarity | NPD7339 | Approved |
0.5612 | Remote Similarity | NPD6114 | Approved |
0.5612 | Remote Similarity | NPD6697 | Approved |
0.5612 | Remote Similarity | NPD6115 | Approved |
0.5612 | Remote Similarity | NPD4776 | Phase 2 |
0.5612 | Remote Similarity | NPD6118 | Approved |
0.5612 | Remote Similarity | NPD4777 | Suspended |
PubChem CID   | 260439 |
ChEMBL   | CHEMBL3348842 |
ZINC   |
Molecular Weight:   | 402.36 |
ALogP:   | -0.1163 |
MLogP:   | 3.99 |
XLogP:   | 7.024 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 44.29 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 5 |
# Heavy Atoms:   | 29 |