Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO6093 | Podocarpus cupressinus | Species | Podocarpaceae | Eukaryota | UNPD* | |||
NPO15614 | Diplopappus filifolius | NA | NA | NA | UNPD* | |||
NPO8814 | Euphrasia pectinata | Species | Orobanchaceae | Eukaryota | UNPD* | |||
NPO15526 | Glochidion zeylanicum | Species | Phyllanthaceae | Eukaryota | UNPD* | |||
NPO10116 | Sphaeranthus indicus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO3173 | Parmelia loxodella | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | breast milk |
PMID[24027187] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[18502700] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[9732975] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[22411374] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cytoplasm |
PMID[8579834] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[8412012] |
||
NPO8639 | Agaricus xanthodermus | Species | Agaricaceae | Eukaryota | UNPD* | |||
NPO5769 | Neviusia alabamensis | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO3724 | Amomum neoaurantiacum | Species | Zingiberaceae | Eukaryota | TCMSP* | |||
NPO7758 | Streptomyces caespitosus | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO28993 | Streptomyces venezuelae | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO13391.36 | Streptomyces hygroscopicus imet ja 6599 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2883 | Individual Protein | Egl nine homolog 1 | Homo sapiens | Kd | = | 900 | nM | 20025281 |
NPT2883 | Individual Protein | Egl nine homolog 1 | Homo sapiens | Kd | = | 1700 | nM | 20025281 |
NPT2883 | Individual Protein | Egl nine homolog 1 | Homo sapiens | Kd | = | 2200 | nM | 20025281 |
NPT2883 | Individual Protein | Egl nine homolog 1 | Homo sapiens | Kd | = | 1000 | nM | 20025281 |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT665 | Individual Protein | Solute carrier family 22 member 6 | Homo sapiens | Activity | = | 12.4 | % | 12472777 |
NPT1544 | Individual Protein | Solute carrier family 22 member 2 | Rattus norvegicus | IC50 | = | 700000 | nM | 11502595 |
NPT435 | Individual Protein | Solute carrier family 22 member 1 | Rattus norvegicus | IC50 | = | 740000 | nM | 11502595 |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 66824.2 | nM | PubChem BioAssay data set | |
NPT2883 | Individual Protein | Egl nine homolog 1 | Homo sapiens | Kd | < | 2000 | nM | 23234607 |
NPT2883 | Individual Protein | Egl nine homolog 1 | Homo sapiens | Kd | = | 900 | nM | 23234607 |
NPT2 | Others | Unspecified | Potency | 54927.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 194.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 385.3 | 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 NPC128713 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 |
---|---|---|
0.8649 | High Similarity | NPC317945 |
0.8056 | Intermediate Similarity | NPC125575 |
0.7838 | Intermediate Similarity | NPC127142 |
0.7838 | Intermediate Similarity | NPC7814 |
0.7674 | Intermediate Similarity | NPC38891 |
0.7674 | Intermediate Similarity | NPC242655 |
0.7561 | Intermediate Similarity | NPC240109 |
0.7436 | Intermediate Similarity | NPC1037 |
0.7391 | Intermediate Similarity | NPC293378 |
0.725 | Intermediate Similarity | NPC206924 |
0.725 | Intermediate Similarity | NPC109026 |
0.7222 | Intermediate Similarity | NPC292641 |
0.7222 | Intermediate Similarity | NPC248139 |
0.7073 | Intermediate Similarity | NPC38930 |
0.7073 | Intermediate Similarity | NPC325454 |
0.6944 | Remote Similarity | NPC236709 |
0.6818 | Remote Similarity | NPC310220 |
0.6818 | Remote Similarity | NPC289686 |
0.68 | Remote Similarity | NPC65985 |
0.68 | Remote Similarity | NPC19676 |
0.68 | Remote Similarity | NPC323401 |
0.6757 | Remote Similarity | NPC174368 |
0.6667 | Remote Similarity | NPC18224 |
0.6667 | Remote Similarity | NPC6883 |
0.6667 | Remote Similarity | NPC328710 |
0.6538 | Remote Similarity | NPC60830 |
0.6538 | Remote Similarity | NPC68743 |
0.65 | Remote Similarity | NPC307027 |
0.6415 | Remote Similarity | NPC198377 |
0.6389 | Remote Similarity | NPC286233 |
0.6296 | Remote Similarity | NPC61567 |
0.6275 | Remote Similarity | NPC277878 |
0.625 | Remote Similarity | NPC175342 |
0.6222 | Remote Similarity | NPC121018 |
0.6222 | Remote Similarity | NPC24751 |
0.6222 | Remote Similarity | NPC97444 |
0.6222 | Remote Similarity | NPC192402 |
0.6222 | Remote Similarity | NPC100742 |
0.6222 | Remote Similarity | NPC19044 |
0.619 | Remote Similarity | NPC134782 |
0.6182 | Remote Similarity | NPC179624 |
0.6154 | Remote Similarity | NPC196612 |
0.6154 | Remote Similarity | NPC320981 |
0.6122 | Remote Similarity | NPC172086 |
0.6122 | Remote Similarity | NPC247546 |
0.6087 | Remote Similarity | NPC259982 |
0.6087 | Remote Similarity | NPC228782 |
0.6087 | Remote Similarity | NPC313565 |
0.6 | Remote Similarity | NPC320331 |
0.6 | Remote Similarity | NPC46254 |
0.5957 | Remote Similarity | NPC319680 |
0.5952 | Remote Similarity | NPC317203 |
0.5946 | Remote Similarity | NPC149209 |
0.5918 | Remote Similarity | NPC101249 |
0.5909 | Remote Similarity | NPC268826 |
0.587 | Remote Similarity | NPC35661 |
0.5833 | Remote Similarity | NPC270088 |
0.5814 | Remote Similarity | NPC155263 |
0.5814 | Remote Similarity | NPC5505 |
0.5778 | Remote Similarity | NPC183424 |
0.5778 | Remote Similarity | NPC214610 |
0.5778 | Remote Similarity | NPC329545 |
0.5778 | Remote Similarity | NPC118968 |
0.5778 | Remote Similarity | NPC294085 |
0.575 | Remote Similarity | NPC198126 |
0.5714 | Remote Similarity | NPC220922 |
0.5714 | Remote Similarity | NPC293692 |
0.569 | Remote Similarity | NPC320296 |
0.5686 | Remote Similarity | NPC476469 |
0.5682 | Remote Similarity | NPC158179 |
0.5682 | Remote Similarity | NPC252843 |
0.5682 | Remote Similarity | NPC321569 |
0.5625 | Remote Similarity | NPC74845 |
0.561 | Remote Similarity | NPC212144 |
0.561 | Remote Similarity | NPC280532 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC128713 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 |
---|---|---|---|
0.7838 | Intermediate Similarity | NPD8857 | Approved |
0.7556 | Intermediate Similarity | NPD70 | Approved |
0.7556 | Intermediate Similarity | NPD9121 | Approved |
0.7556 | Intermediate Similarity | NPD9123 | Approved |
0.7556 | Intermediate Similarity | NPD108 | Approved |
0.7556 | Intermediate Similarity | NPD9127 | Approved |
0.7556 | Intermediate Similarity | NPD109 | Approved |
0.7556 | Intermediate Similarity | NPD9122 | Approved |
0.7556 | Intermediate Similarity | NPD9124 | Approved |
0.7556 | Intermediate Similarity | NPD9125 | Approved |
0.7556 | Intermediate Similarity | NPD9128 | Approved |
0.7556 | Intermediate Similarity | NPD9130 | Phase 3 |
0.7391 | Intermediate Similarity | NPD9129 | Approved |
0.7391 | Intermediate Similarity | NPD71 | Approved |
0.7391 | Intermediate Similarity | NPD9126 | Approved |
0.7222 | Intermediate Similarity | NPD62 | Approved |
0.6944 | Remote Similarity | NPD8594 | Approved |
0.6944 | Remote Similarity | NPD8593 | Approved |
0.6389 | Remote Similarity | NPD8189 | Approved |
0.6304 | Remote Similarity | NPD8975 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD64 | Approved |
0.6275 | Remote Similarity | NPD72 | Approved |
0.6275 | Remote Similarity | NPD9007 | Approved |
0.6275 | Remote Similarity | NPD9011 | Approved |
0.6275 | Remote Similarity | NPD8960 | Approved |
0.6275 | Remote Similarity | NPD9008 | Approved |
0.6275 | Remote Similarity | NPD9010 | Approved |
0.6275 | Remote Similarity | NPD65 | Approved |
0.6275 | Remote Similarity | NPD66 | Approved |
0.6275 | Remote Similarity | NPD9009 | Approved |
0.6222 | Remote Similarity | NPD8602 | Approved |
0.6222 | Remote Similarity | NPD8603 | Approved |
0.6222 | Remote Similarity | NPD8598 | Approved |
0.6222 | Remote Similarity | NPD8599 | Approved |
0.6222 | Remote Similarity | NPD8604 | Approved |
0.6222 | Remote Similarity | NPD8600 | Approved |
0.6222 | Remote Similarity | NPD8601 | Approved |
0.6222 | Remote Similarity | NPD8605 | Approved |
0.617 | Remote Similarity | NPD8974 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD8590 | Approved |
0.6122 | Remote Similarity | NPD9004 | Approved |
0.6122 | Remote Similarity | NPD9003 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD9005 | Phase 3 |
0.6111 | Remote Similarity | NPD8592 | Approved |
0.6111 | Remote Similarity | NPD8591 | Approved |
0.5952 | Remote Similarity | NPD8596 | Approved |
0.5918 | Remote Similarity | NPD8866 | Approved |
0.5918 | Remote Similarity | NPD8867 | Approved |
0.5897 | Remote Similarity | NPD8617 | Approved |
0.5897 | Remote Similarity | NPD8619 | Approved |
0.5818 | Remote Similarity | NPD73 | Approved |
0.5814 | Remote Similarity | NPD8597 | Approved |
0.5778 | Remote Similarity | NPD9655 | Approved |
0.575 | Remote Similarity | NPD8618 | Approved |
0.5714 | Remote Similarity | NPD8959 | Approved |
PubChem CID   | 51 |
ChEMBL   | CHEMBL1686 |
ZINC   |
Molecular Weight:   | 146.02 |
ALogP:   | -0.6738 |
MLogP:   | 1.46 |
XLogP:   | -1.056 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 91.67 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 10 |