Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[11166796] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[11166796] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[21359215] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 1778.3 | 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 NPC328653 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 |
---|---|---|
0.9839 | High Similarity | NPC49863 |
0.9836 | High Similarity | NPC323477 |
0.9516 | High Similarity | NPC317881 |
0.9516 | High Similarity | NPC323045 |
0.9206 | High Similarity | NPC320642 |
0.9104 | High Similarity | NPC325627 |
0.8571 | High Similarity | NPC327112 |
0.8413 | Intermediate Similarity | NPC329249 |
0.8333 | Intermediate Similarity | NPC255863 |
0.8333 | Intermediate Similarity | NPC245947 |
0.8333 | Intermediate Similarity | NPC136164 |
0.8281 | Intermediate Similarity | NPC328311 |
0.8125 | Intermediate Similarity | NPC322186 |
0.8125 | Intermediate Similarity | NPC322002 |
0.8088 | Intermediate Similarity | NPC99619 |
0.8088 | Intermediate Similarity | NPC26500 |
0.806 | Intermediate Similarity | NPC318420 |
0.806 | Intermediate Similarity | NPC326268 |
0.7917 | Intermediate Similarity | NPC92558 |
0.7857 | Intermediate Similarity | NPC143396 |
0.7846 | Intermediate Similarity | NPC318306 |
0.7812 | Intermediate Similarity | NPC323436 |
0.7746 | Intermediate Similarity | NPC476037 |
0.7727 | Intermediate Similarity | NPC243532 |
0.7671 | Intermediate Similarity | NPC227396 |
0.7647 | Intermediate Similarity | NPC470320 |
0.7612 | Intermediate Similarity | NPC477829 |
0.7612 | Intermediate Similarity | NPC201939 |
0.7612 | Intermediate Similarity | NPC321838 |
0.7606 | Intermediate Similarity | NPC317583 |
0.7606 | Intermediate Similarity | NPC236208 |
0.7571 | Intermediate Similarity | NPC478097 |
0.7568 | Intermediate Similarity | NPC260396 |
0.7534 | Intermediate Similarity | NPC329890 |
0.7534 | Intermediate Similarity | NPC326024 |
0.7531 | Intermediate Similarity | NPC86005 |
0.7531 | Intermediate Similarity | NPC477959 |
0.75 | Intermediate Similarity | NPC476012 |
0.7429 | Intermediate Similarity | NPC146811 |
0.7391 | Intermediate Similarity | NPC226592 |
0.7385 | Intermediate Similarity | NPC472808 |
0.7385 | Intermediate Similarity | NPC324224 |
0.7353 | Intermediate Similarity | NPC113293 |
0.7353 | Intermediate Similarity | NPC475984 |
0.7324 | Intermediate Similarity | NPC25298 |
0.7324 | Intermediate Similarity | NPC478100 |
0.7297 | Intermediate Similarity | NPC284006 |
0.7297 | Intermediate Similarity | NPC329914 |
0.7286 | Intermediate Similarity | NPC476655 |
0.7286 | Intermediate Similarity | NPC478099 |
0.7286 | Intermediate Similarity | NPC478098 |
0.7286 | Intermediate Similarity | NPC476654 |
0.7286 | Intermediate Similarity | NPC476657 |
0.7273 | Intermediate Similarity | NPC211752 |
0.7273 | Intermediate Similarity | NPC323597 |
0.7273 | Intermediate Similarity | NPC127526 |
0.7273 | Intermediate Similarity | NPC323498 |
0.7262 | Intermediate Similarity | NPC313670 |
0.726 | Intermediate Similarity | NPC476660 |
0.7246 | Intermediate Similarity | NPC470965 |
0.7237 | Intermediate Similarity | NPC188860 |
0.7213 | Intermediate Similarity | NPC207292 |
0.7206 | Intermediate Similarity | NPC321919 |
0.7206 | Intermediate Similarity | NPC81896 |
0.7183 | Intermediate Similarity | NPC478101 |
0.7183 | Intermediate Similarity | NPC476656 |
0.7183 | Intermediate Similarity | NPC476659 |
0.7162 | Intermediate Similarity | NPC293114 |
0.7143 | Intermediate Similarity | NPC328089 |
0.7143 | Intermediate Similarity | NPC233071 |
0.7143 | Intermediate Similarity | NPC68343 |
0.7123 | Intermediate Similarity | NPC470436 |
0.7123 | Intermediate Similarity | NPC473772 |
0.7123 | Intermediate Similarity | NPC130618 |
0.7121 | Intermediate Similarity | NPC327388 |
0.7121 | Intermediate Similarity | NPC18951 |
0.7105 | Intermediate Similarity | NPC473948 |
0.7101 | Intermediate Similarity | NPC328776 |
0.7101 | Intermediate Similarity | NPC320305 |
0.7097 | Intermediate Similarity | NPC5413 |
0.7097 | Intermediate Similarity | NPC149821 |
0.7083 | Intermediate Similarity | NPC22101 |
0.7083 | Intermediate Similarity | NPC104537 |
0.7083 | Intermediate Similarity | NPC148192 |
0.7083 | Intermediate Similarity | NPC330426 |
0.7083 | Intermediate Similarity | NPC127091 |
0.7083 | Intermediate Similarity | NPC271921 |
0.7077 | Intermediate Similarity | NPC137538 |
0.7067 | Intermediate Similarity | NPC470435 |
0.7059 | Intermediate Similarity | NPC329550 |
0.7051 | Intermediate Similarity | NPC182292 |
0.7037 | Intermediate Similarity | NPC52923 |
0.7031 | Intermediate Similarity | NPC92114 |
0.7015 | Intermediate Similarity | NPC44542 |
0.7015 | Intermediate Similarity | NPC472445 |
0.7013 | Intermediate Similarity | NPC279537 |
0.7011 | Intermediate Similarity | NPC5418 |
0.7 | Intermediate Similarity | NPC297440 |
0.7 | Intermediate Similarity | NPC29697 |
0.6988 | Remote Similarity | NPC164393 |
0.6986 | Remote Similarity | NPC48218 |
0.6986 | Remote Similarity | NPC473559 |
0.6986 | Remote Similarity | NPC324981 |
0.6986 | Remote Similarity | NPC141481 |
0.6974 | Remote Similarity | NPC474321 |
0.697 | Remote Similarity | NPC52264 |
0.6962 | Remote Similarity | NPC1180 |
0.6962 | Remote Similarity | NPC321728 |
0.6951 | Remote Similarity | NPC219966 |
0.6935 | Remote Similarity | NPC91495 |
0.6933 | Remote Similarity | NPC67076 |
0.6933 | Remote Similarity | NPC316185 |
0.6933 | Remote Similarity | NPC319163 |
0.6933 | Remote Similarity | NPC477087 |
0.6933 | Remote Similarity | NPC477086 |
0.6933 | Remote Similarity | NPC320119 |
0.6923 | Remote Similarity | NPC47844 |
0.6923 | Remote Similarity | NPC321062 |
0.6923 | Remote Similarity | NPC70387 |
0.6923 | Remote Similarity | NPC141195 |
0.6912 | Remote Similarity | NPC34416 |
0.6905 | Remote Similarity | NPC179659 |
0.6901 | Remote Similarity | NPC476658 |
0.6892 | Remote Similarity | NPC475982 |
0.6875 | Remote Similarity | NPC115418 |
0.6867 | Remote Similarity | NPC137033 |
0.6867 | Remote Similarity | NPC21469 |
0.6866 | Remote Similarity | NPC477201 |
0.6866 | Remote Similarity | NPC325977 |
0.6857 | Remote Similarity | NPC271282 |
0.6857 | Remote Similarity | NPC66460 |
0.6857 | Remote Similarity | NPC26810 |
0.6857 | Remote Similarity | NPC40082 |
0.6857 | Remote Similarity | NPC325929 |
0.6854 | Remote Similarity | NPC165332 |
0.6854 | Remote Similarity | NPC195645 |
0.6854 | Remote Similarity | NPC180722 |
0.6849 | Remote Similarity | NPC475443 |
0.6849 | Remote Similarity | NPC473829 |
0.6842 | Remote Similarity | NPC185186 |
0.6842 | Remote Similarity | NPC327383 |
0.6842 | Remote Similarity | NPC477085 |
0.6835 | Remote Similarity | NPC27949 |
0.6835 | Remote Similarity | NPC260814 |
0.6835 | Remote Similarity | NPC192006 |
0.6835 | Remote Similarity | NPC39547 |
0.6835 | Remote Similarity | NPC133377 |
0.6835 | Remote Similarity | NPC323249 |
0.6818 | Remote Similarity | NPC261831 |
0.6818 | Remote Similarity | NPC424 |
0.6818 | Remote Similarity | NPC25417 |
0.6818 | Remote Similarity | NPC290563 |
0.6818 | Remote Similarity | NPC32467 |
0.6818 | Remote Similarity | NPC87564 |
0.6818 | Remote Similarity | NPC322461 |
0.6818 | Remote Similarity | NPC281972 |
0.6818 | Remote Similarity | NPC6095 |
0.6818 | Remote Similarity | NPC85813 |
0.6818 | Remote Similarity | NPC88966 |
0.6818 | Remote Similarity | NPC154245 |
0.6818 | Remote Similarity | NPC110732 |
0.6812 | Remote Similarity | NPC222852 |
0.68 | Remote Similarity | NPC473361 |
0.68 | Remote Similarity | NPC329904 |
0.68 | Remote Similarity | NPC42526 |
0.679 | Remote Similarity | NPC88735 |
0.679 | Remote Similarity | NPC315731 |
0.6786 | Remote Similarity | NPC309211 |
0.6786 | Remote Similarity | NPC112685 |
0.6786 | Remote Similarity | NPC122502 |
0.6786 | Remote Similarity | NPC116575 |
0.6765 | Remote Similarity | NPC594 |
0.6765 | Remote Similarity | NPC48968 |
0.6765 | Remote Similarity | NPC225929 |
0.6757 | Remote Similarity | NPC474823 |
0.6753 | Remote Similarity | NPC315843 |
0.675 | Remote Similarity | NPC469747 |
0.675 | Remote Similarity | NPC201225 |
0.675 | Remote Similarity | NPC263574 |
0.6747 | Remote Similarity | NPC474251 |
0.6744 | Remote Similarity | NPC118193 |
0.6744 | Remote Similarity | NPC256902 |
0.6719 | Remote Similarity | NPC59051 |
0.6716 | Remote Similarity | NPC146551 |
0.6716 | Remote Similarity | NPC228473 |
0.6716 | Remote Similarity | NPC152668 |
0.6716 | Remote Similarity | NPC474513 |
0.6716 | Remote Similarity | NPC470963 |
0.6714 | Remote Similarity | NPC251042 |
0.6714 | Remote Similarity | NPC122521 |
0.6714 | Remote Similarity | NPC174447 |
0.6711 | Remote Similarity | NPC126061 |
0.6709 | Remote Similarity | NPC240170 |
0.6709 | Remote Similarity | NPC110813 |
0.6709 | Remote Similarity | NPC120776 |
0.6707 | Remote Similarity | NPC7414 |
0.6705 | Remote Similarity | NPC476049 |
0.6667 | Remote Similarity | NPC61177 |
0.6667 | Remote Similarity | NPC319021 |
0.6667 | Remote Similarity | NPC475004 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC328653 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 |
---|---|---|---|
0.9839 | High Similarity | NPD4247 | Clinical (unspecified phase) |
0.8571 | High Similarity | NPD4246 | Clinical (unspecified phase) |
0.7176 | Intermediate Similarity | NPD7983 | Approved |
0.7143 | Intermediate Similarity | NPD3197 | Phase 1 |
0.7097 | Intermediate Similarity | NPD3173 | Approved |
0.7093 | Intermediate Similarity | NPD5778 | Approved |
0.7093 | Intermediate Similarity | NPD5779 | Approved |
0.6875 | Remote Similarity | NPD4252 | Approved |
0.6854 | Remote Similarity | NPD7839 | Suspended |
0.6835 | Remote Similarity | NPD4271 | Approved |
0.6835 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6835 | Remote Similarity | NPD4268 | Approved |
0.6818 | Remote Similarity | NPD3194 | Approved |
0.6818 | Remote Similarity | NPD3195 | Phase 2 |
0.6818 | Remote Similarity | NPD3196 | Approved |
0.6818 | Remote Similarity | NPD4266 | Approved |
0.6786 | Remote Similarity | NPD5786 | Approved |
0.6707 | Remote Similarity | NPD4270 | Approved |
0.6707 | Remote Similarity | NPD4269 | Approved |
0.6667 | Remote Similarity | NPD4820 | Approved |
0.6667 | Remote Similarity | NPD3172 | Approved |
0.6667 | Remote Similarity | NPD4821 | Approved |
0.6667 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4822 | Approved |
0.6667 | Remote Similarity | NPD4819 | Approved |
0.6627 | Remote Similarity | NPD7154 | Phase 3 |
0.6627 | Remote Similarity | NPD5362 | Discontinued |
0.6613 | Remote Similarity | NPD3174 | Discontinued |
0.6613 | Remote Similarity | NPD4222 | Approved |
0.6613 | Remote Similarity | NPD39 | Approved |
0.6585 | Remote Similarity | NPD4790 | Discontinued |
0.6512 | Remote Similarity | NPD4251 | Approved |
0.6512 | Remote Similarity | NPD4250 | Approved |
0.65 | Remote Similarity | NPD4756 | Discovery |
0.6471 | Remote Similarity | NPD5363 | Approved |
0.6463 | Remote Similarity | NPD5368 | Approved |
0.6429 | Remote Similarity | NPD6109 | Phase 1 |
0.6429 | Remote Similarity | NPD5332 | Approved |
0.6429 | Remote Similarity | NPD5331 | Approved |
0.6406 | Remote Similarity | NPD5343 | Approved |
0.6404 | Remote Similarity | NPD7637 | Suspended |
0.6395 | Remote Similarity | NPD4249 | Approved |
0.6364 | Remote Similarity | NPD28 | Approved |
0.6364 | Remote Similarity | NPD29 | Approved |
0.6364 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD6101 | Approved |
0.631 | Remote Similarity | NPD6435 | Approved |
0.629 | Remote Similarity | NPD5326 | Phase 3 |
0.6222 | Remote Similarity | NPD6411 | Approved |
0.619 | Remote Similarity | NPD5369 | Approved |
0.618 | Remote Similarity | NPD5370 | Suspended |
0.6154 | Remote Similarity | NPD622 | Approved |
0.6111 | Remote Similarity | NPD46 | Approved |
0.6111 | Remote Similarity | NPD5785 | Approved |
0.6111 | Remote Similarity | NPD7838 | Discovery |
0.6111 | Remote Similarity | NPD6698 | Approved |
0.6094 | Remote Similarity | NPD4265 | Approved |
0.6061 | Remote Similarity | NPD4220 | Pre-registration |
0.6047 | Remote Similarity | NPD6110 | Phase 1 |
0.6044 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4732 | Discontinued |
0.6 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.596 | Remote Similarity | NPD5048 | Discontinued |
0.5938 | Remote Similarity | NPD6097 | Approved |
0.5938 | Remote Similarity | NPD6096 | Approved |
0.5882 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD6927 | Phase 3 |
0.5854 | Remote Similarity | NPD8039 | Approved |
0.5795 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD7332 | Phase 2 |
0.5698 | Remote Similarity | NPD7514 | Phase 3 |
0.5667 | Remote Similarity | NPD6422 | Discontinued |
0.5663 | Remote Similarity | NPD8264 | Approved |
0.5647 | Remote Similarity | NPD7145 | Approved |
0.5647 | Remote Similarity | NPD3732 | Approved |
0.5641 | Remote Similarity | NPD7331 | Phase 2 |
0.5632 | Remote Similarity | NPD6902 | Approved |
0.56 | Remote Similarity | NPD5738 | Clinical (unspecified phase) |
PubChem CID   | 5280745 |
ChEMBL   | CHEMBL1593789 |
ZINC   |
Molecular Weight:   | 352.22 |
ALogP:   | -0.7327 |
MLogP:   | 3.11 |
XLogP:   | 2.734 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 97.99 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 4 |
# Rings:   | 0 |
# Heavy Atoms:   | 25 |