Natural Product: NPC27208

Natural Product ID:  NPC27208
Common Name:   Gossypetin
IUPAC Name:   2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
Synonyms:   Articulatidin; Equisporol; Gossypetin
Molecular Formula:   C15H10O8
Standard InCHIKey:  YRRAGUMVDQQZIY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
Canonical SMILES:  Oc1cc(ccc1O)c1oc2c(O)c(O)cc(c2c(=O)c1O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TCM_Taiwan*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota HerDing*
NPO26763 Rhododendron micranthum Species Ericaceae Eukaryota TCM_Taiwan*
NPO26763 Rhododendron micranthum Species Ericaceae Eukaryota HerDing*
NPO30823 Evodia rutaecarpa NA NA NA HerDing*
NPO31044 Sedum kamtschaticum Species Crassulaceae Eukaryota TCM_Taiwan*
NPO31044 Sedum kamtschaticum Species Crassulaceae Eukaryota HerDing*
NPO22397 Equiseti hiemalis herba NA NA NA TCMSP*
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO28231 Abelmoschus manihot Species Malvaceae Eukaryota TM-MC*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TM-MC*
NPO14274 Rhododendron mucronatum Species Ericaceae Eukaryota TCMID*
NPO17759 Rhododendron mucronulatum Species Ericaceae Eukaryota TCMID*
NPO19935 Tetradium ruticarpum Species Rutaceae Eukaryota TCMID*
NPO18673 Rhododendron anthopogonoides Species Ericaceae Eukaryota TCMID*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TCMID*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota TCMID*
NPO26763 Rhododendron micranthum Species Ericaceae Eukaryota TCMID*
NPO1639 Pyrrosia lingua Species Polypodiaceae Eukaryota TCMID*
NPO16239 Rhodiola rosea Species Crassulaceae Eukaryota roots PMID[19729316]
NPO14274 Rhododendron mucronatum Species Ericaceae Eukaryota TCM_Taiwan*
NPO14274 Rhododendron mucronatum Species Ericaceae Eukaryota HerDing*
NPO1639 Pyrrosia lingua Species Polypodiaceae Eukaryota HerDing*
NPO17759 Rhododendron mucronulatum Species Ericaceae Eukaryota TCM_Taiwan*
NPO17759 Rhododendron mucronulatum Species Ericaceae Eukaryota HerDing*
NPO18673 Rhododendron anthopogonoides Species Ericaceae Eukaryota TCM_Taiwan*
NPO18673 Rhododendron anthopogonoides Species Ericaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT441 Individual Protein Cytochrome P450 19A1 Homo sapiens IC50 = 11000 nM 18778944
NPT2 Others Unspecified Ratio CC50/EC50 = 6.58 19729316
NPT742 Organism Influenza A virus Influenza A virus EC50 = 36300 nM 19729316
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) EC50 = 43000 nM 19729316
NPT616 Cell Line MDCK Canis lupus familiaris CC50 = 283000 nM 19729316
NPT493 Individual Protein Neuraminidase Influenza A virus Ki = 7700 nM 19729316
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 2600 nM 19729316
NPT344 Individual Protein Sialidase Clostridium perfringens IC50 = 800 nM 19729316
NPT2 Others Unspecified Ratio CC50/EC50 = 7.8 19729316
NPT2 Others Unspecified Activity = 85.4 % 20692831
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 2818.4 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency = 501.2 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 22387.2 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 7062.7 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -6.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -2.9 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 17.5 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -9.5 % 21493073
NPT1 Others Radical scavenging activity EC50 = 5.5 ug 21821414
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 1122 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT191 Organism Hepatitis C virus Hepatitis C virus EC50 = 47000 nM 22445328
NPT2 Others Unspecified CC50 > 50000 nM 22445328
NPT1380 Individual Protein Avian myoblastosis virus polyprotein II Avian myeloblastosis virus Inhibition = 85.1 % 10.1007/s00044-011-9570-z
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25118.9 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 1258.9 nM PubChem BioAssay data set
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens IC50 < 3000 nM 25086914
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens IC50 < 3000 nM 25086914
NPT1721 Individual Protein Death-associated protein kinase 1 Homo sapiens IC50 = 87000 nM 26322379

  Similar Natural Products in NPASS

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 NPC27208 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
0.9931 High Similarity NPC225731
0.9862 High Similarity NPC77858
0.9797 High Similarity NPC98661
0.9797 High Similarity NPC247017
0.9793 High Similarity NPC296197
0.9793 High Similarity NPC259713
0.9793 High Similarity NPC17286
0.9793 High Similarity NPC216318
0.9793 High Similarity NPC195351
0.9732 High Similarity NPC305663
0.9732 High Similarity NPC163524
0.9732 High Similarity NPC287979
0.9732 High Similarity NPC75215
0.9732 High Similarity NPC227192
0.9732 High Similarity NPC189179
0.9732 High Similarity NPC176665
0.9732 High Similarity NPC224137
0.9732 High Similarity NPC93376
0.973 High Similarity NPC201451
0.973 High Similarity NPC44079
0.973 High Similarity NPC26227
0.9726 High Similarity NPC45873
0.9667 High Similarity NPC143828
0.9667 High Similarity NPC300943
0.9667 High Similarity NPC191459
0.9667 High Similarity NPC4481
0.9667 High Similarity NPC152166
0.9667 High Similarity NPC204854
0.9667 High Similarity NPC22472
0.9667 High Similarity NPC19687
0.9667 High Similarity NPC288669
0.9667 High Similarity NPC18607
0.9667 High Similarity NPC105242
0.9667 High Similarity NPC176300
0.9667 High Similarity NPC253634
0.9667 High Similarity NPC115798
0.9667 High Similarity NPC25495
0.9667 High Similarity NPC9609
0.9667 High Similarity NPC261004
0.9667 High Similarity NPC18772
0.9667 High Similarity NPC7846
0.9667 High Similarity NPC130894
0.9664 High Similarity NPC245546
0.9664 High Similarity NPC49824
0.9664 High Similarity NPC474520
0.9664 High Similarity NPC43243
0.9664 High Similarity NPC266960
0.9655 High Similarity NPC239312
0.9655 High Similarity NPC130230
0.9655 High Similarity NPC275772
0.96 High Similarity NPC110070
0.96 High Similarity NPC78302
0.96 High Similarity NPC472438
0.96 High Similarity NPC7973
0.96 High Similarity NPC29841
0.96 High Similarity NPC203891
0.96 High Similarity NPC235215
0.96 High Similarity NPC101830
0.9597 High Similarity NPC50715
0.9597 High Similarity NPC227325
0.9597 High Similarity NPC163780
0.9597 High Similarity NPC214138
0.9597 High Similarity NPC196439
0.9597 High Similarity NPC201136
0.9597 High Similarity NPC128863
0.9597 High Similarity NPC183597
0.9597 High Similarity NPC146165
0.9597 High Similarity NPC167815
0.9597 High Similarity NPC92659
0.9597 High Similarity NPC4455
0.9597 High Similarity NPC2476
0.9597 High Similarity NPC138360
0.9597 High Similarity NPC280339
0.9595 High Similarity NPC275722
0.9595 High Similarity NPC187498
0.9595 High Similarity NPC83508
0.9595 High Similarity NPC241498
0.9595 High Similarity NPC198826
0.9595 High Similarity NPC301323
0.9595 High Similarity NPC100887
0.9595 High Similarity NPC57030
0.9595 High Similarity NPC212678
0.9595 High Similarity NPC222830
0.9595 High Similarity NPC239128
0.9595 High Similarity NPC131624
0.9595 High Similarity NPC293183
0.9595 High Similarity NPC25270
0.9595 High Similarity NPC256283
0.9595 High Similarity NPC162313
0.9595 High Similarity NPC156222
0.9595 High Similarity NPC301123
0.9595 High Similarity NPC275836
0.9595 High Similarity NPC142540
0.9595 High Similarity NPC188203
0.9595 High Similarity NPC71334
0.9595 High Similarity NPC120163
0.9592 High Similarity NPC61620
0.9589 High Similarity NPC118726
0.9589 High Similarity NPC12367
0.9586 High Similarity NPC20791
0.9586 High Similarity NPC169749
0.9586 High Similarity NPC179271
0.9536 High Similarity NPC193842
0.9533 High Similarity NPC100916
0.9533 High Similarity NPC55619
0.9533 High Similarity NPC200388
0.9533 High Similarity NPC268161
0.9533 High Similarity NPC292107
0.9533 High Similarity NPC178854
0.953 High Similarity NPC255350
0.953 High Similarity NPC276409
0.953 High Similarity NPC145379
0.953 High Similarity NPC69394
0.953 High Similarity NPC176775
0.953 High Similarity NPC75279
0.953 High Similarity NPC183878
0.953 High Similarity NPC47781
0.953 High Similarity NPC274327
0.953 High Similarity NPC22519
0.953 High Similarity NPC160951
0.953 High Similarity NPC86485
0.953 High Similarity NPC231018
0.953 High Similarity NPC250822
0.9527 High Similarity NPC251110
0.9527 High Similarity NPC133953
0.9527 High Similarity NPC125062
0.9527 High Similarity NPC252933
0.9527 High Similarity NPC28274
0.9527 High Similarity NPC200740
0.9527 High Similarity NPC50403
0.9527 High Similarity NPC54394
0.9521 High Similarity NPC168803
0.9521 High Similarity NPC74881
0.9521 High Similarity NPC51443
0.9467 High Similarity NPC213622
0.9467 High Similarity NPC208197
0.9467 High Similarity NPC32557
0.9467 High Similarity NPC20830
0.9467 High Similarity NPC189960
0.9467 High Similarity NPC256612
0.9463 High Similarity NPC82325
0.9463 High Similarity NPC199100
0.9463 High Similarity NPC180234
0.9463 High Similarity NPC134677
0.9463 High Similarity NPC279989
0.9463 High Similarity NPC123886
0.9463 High Similarity NPC120537
0.9463 High Similarity NPC55205
0.9459 High Similarity NPC306821
0.9459 High Similarity NPC248102
0.9459 High Similarity NPC184136
0.9456 High Similarity NPC276930
0.9448 High Similarity NPC279121
0.9404 High Similarity NPC201837
0.9404 High Similarity NPC265511
0.94 High Similarity NPC292214
0.94 High Similarity NPC167091
0.94 High Similarity NPC271779
0.94 High Similarity NPC270620
0.94 High Similarity NPC246204
0.94 High Similarity NPC88645
0.94 High Similarity NPC78326
0.94 High Similarity NPC162351
0.94 High Similarity NPC58382
0.94 High Similarity NPC236223
0.94 High Similarity NPC179126
0.94 High Similarity NPC206238
0.9396 High Similarity NPC208043
0.9396 High Similarity NPC226973
0.9392 High Similarity NPC270465
0.9392 High Similarity NPC159103
0.9392 High Similarity NPC137062
0.9392 High Similarity NPC183950
0.9392 High Similarity NPC87125
0.9392 High Similarity NPC52005
0.9392 High Similarity NPC287101
0.9392 High Similarity NPC223579
0.9388 High Similarity NPC61871
0.9388 High Similarity NPC55557
0.9388 High Similarity NPC30647
0.9384 High Similarity NPC70136
0.9379 High Similarity NPC175013
0.9346 High Similarity NPC246478
0.9346 High Similarity NPC263449
0.9342 High Similarity NPC470402
0.9342 High Similarity NPC174908
0.9338 High Similarity NPC2928
0.9333 High Similarity NPC60972
0.9333 High Similarity NPC101996
0.9333 High Similarity NPC39732
0.9333 High Similarity NPC39007
0.9333 High Similarity NPC161277
0.9329 High Similarity NPC188871
0.9329 High Similarity NPC62042
0.9329 High Similarity NPC260582
0.9329 High Similarity NPC166753
0.9329 High Similarity NPC219330
0.9329 High Similarity NPC50728
0.9329 High Similarity NPC149127
0.9329 High Similarity NPC286342

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC27208 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
0.9586 High Similarity NPD1512 Approved
0.953 High Similarity NPD2801 Approved
0.9448 High Similarity NPD1511 Approved
0.9079 High Similarity NPD1934 Approved
0.9026 High Similarity NPD3882 Suspended
0.8961 High Similarity NPD3817 Phase 2
0.8951 High Similarity NPD4338 Clinical (unspecified phase)
0.8868 High Similarity NPD6168 Clinical (unspecified phase)
0.8868 High Similarity NPD6167 Clinical (unspecified phase)
0.8868 High Similarity NPD6166 Phase 2
0.8774 High Similarity NPD2393 Clinical (unspecified phase)
0.8758 High Similarity NPD3818 Discontinued
0.8618 High Similarity NPD4378 Clinical (unspecified phase)
0.8598 High Similarity NPD6797 Phase 2
0.8589 High Similarity NPD7054 Approved
0.8545 High Similarity NPD7251 Discontinued
0.8537 High Similarity NPD7472 Approved
0.8494 Intermediate Similarity NPD7808 Phase 3
0.8481 Intermediate Similarity NPD5402 Approved
0.8428 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD7074 Phase 3
0.8418 Intermediate Similarity NPD1465 Phase 2
0.84 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8389 Intermediate Similarity NPD1510 Phase 2
0.8367 Intermediate Similarity NPD943 Approved
0.8344 Intermediate Similarity NPD1549 Phase 2
0.8344 Intermediate Similarity NPD4380 Phase 2
0.8333 Intermediate Similarity NPD1247 Approved
0.8272 Intermediate Similarity NPD5494 Approved
0.8261 Intermediate Similarity NPD7075 Discontinued
0.8261 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD6799 Approved
0.8171 Intermediate Similarity NPD6232 Discontinued
0.8155 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8141 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD7473 Discontinued
0.8125 Intermediate Similarity NPD6801 Discontinued
0.8121 Intermediate Similarity NPD1240 Approved
0.8095 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD5403 Approved
0.8036 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8027 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD5401 Approved
0.8013 Intermediate Similarity NPD1607 Approved
0.8012 Intermediate Similarity NPD3926 Phase 2
0.7988 Intermediate Similarity NPD919 Approved
0.7987 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD2796 Approved
0.7947 Intermediate Similarity NPD447 Suspended
0.7888 Intermediate Similarity NPD6599 Discontinued
0.7885 Intermediate Similarity NPD3750 Approved
0.7881 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD1613 Approved
0.7853 Intermediate Similarity NPD7819 Suspended
0.7829 Intermediate Similarity NPD230 Phase 1
0.7824 Intermediate Similarity NPD5844 Phase 1
0.7805 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD1653 Approved
0.7742 Intermediate Similarity NPD1551 Phase 2
0.773 Intermediate Similarity NPD7411 Suspended
0.7722 Intermediate Similarity NPD6190 Approved
0.7711 Intermediate Similarity NPD3749 Approved
0.7707 Intermediate Similarity NPD2800 Approved
0.7679 Intermediate Similarity NPD6959 Discontinued
0.7661 Intermediate Similarity NPD3751 Discontinued
0.7628 Intermediate Similarity NPD2935 Discontinued
0.7593 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6559 Discontinued
0.7564 Intermediate Similarity NPD3748 Approved
0.755 Intermediate Similarity NPD9494 Approved
0.7533 Intermediate Similarity NPD1203 Approved
0.7529 Intermediate Similarity NPD3787 Discontinued
0.7516 Intermediate Similarity NPD2313 Discontinued
0.75 Intermediate Similarity NPD3226 Approved
0.7486 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD920 Approved
0.7485 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD1243 Approved
0.7469 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD2344 Approved
0.7452 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD3027 Phase 3
0.745 Intermediate Similarity NPD9269 Phase 2
0.7442 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1933 Approved
0.7368 Intermediate Similarity NPD7199 Phase 2
0.7362 Intermediate Similarity NPD2533 Approved
0.7362 Intermediate Similarity NPD2534 Approved
0.7362 Intermediate Similarity NPD2532 Approved
0.7353 Intermediate Similarity NPD6234 Discontinued
0.7347 Intermediate Similarity NPD1548 Phase 1
0.7346 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7768 Phase 2
0.7312 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6100 Approved
0.7296 Intermediate Similarity NPD6099 Approved
0.7285 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD2309 Approved
0.7267 Intermediate Similarity NPD422 Phase 1
0.7267 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2346 Discontinued
0.7233 Intermediate Similarity NPD2799 Discontinued
0.7232 Intermediate Similarity NPD5953 Discontinued
0.7222 Intermediate Similarity NPD4628 Phase 3
0.7219 Intermediate Similarity NPD9717 Approved
0.7215 Intermediate Similarity NPD6651 Approved
0.7195 Intermediate Similarity NPD7390 Discontinued
0.7191 Intermediate Similarity NPD7685 Pre-registration
0.7182 Intermediate Similarity NPD8434 Phase 2
0.7181 Intermediate Similarity NPD9268 Approved
0.716 Intermediate Similarity NPD37 Approved
0.7152 Intermediate Similarity NPD1610 Phase 2
0.7152 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD4966 Approved
0.7135 Intermediate Similarity NPD4965 Approved
0.7135 Intermediate Similarity NPD4967 Phase 2
0.7134 Intermediate Similarity NPD6233 Phase 2
0.7128 Intermediate Similarity NPD6778 Approved
0.7128 Intermediate Similarity NPD6777 Approved
0.7128 Intermediate Similarity NPD6781 Approved
0.7128 Intermediate Similarity NPD6780 Approved
0.7128 Intermediate Similarity NPD6776 Approved
0.7128 Intermediate Similarity NPD6782 Approved
0.7128 Intermediate Similarity NPD6779 Approved
0.7124 Intermediate Similarity NPD3225 Approved
0.7119 Intermediate Similarity NPD7286 Phase 2
0.7105 Intermediate Similarity NPD1608 Approved
0.7105 Intermediate Similarity NPD1481 Phase 2
0.7078 Intermediate Similarity NPD1470 Approved
0.707 Intermediate Similarity NPD3268 Approved
0.707 Intermediate Similarity NPD411 Approved
0.7062 Intermediate Similarity NPD7228 Approved
0.7059 Intermediate Similarity NPD6844 Discontinued
0.7051 Intermediate Similarity NPD6832 Phase 2
0.7045 Intermediate Similarity NPD2403 Approved
0.7044 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1535 Discovery
0.7039 Intermediate Similarity NPD1201 Approved
0.7037 Intermediate Similarity NPD1471 Phase 3
0.7032 Intermediate Similarity NPD2798 Approved
0.7019 Intermediate Similarity NPD4308 Phase 3
0.7017 Intermediate Similarity NPD8313 Approved
0.7017 Intermediate Similarity NPD8312 Approved
0.7016 Intermediate Similarity NPD7435 Discontinued
0.7012 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.6995 Remote Similarity NPD8150 Discontinued
0.6989 Remote Similarity NPD5242 Approved
0.6987 Remote Similarity NPD3018 Phase 2
0.6977 Remote Similarity NPD4288 Approved
0.697 Remote Similarity NPD2354 Approved
0.6968 Remote Similarity NPD2797 Approved
0.6962 Remote Similarity NPD1296 Phase 2
0.6962 Remote Similarity NPD6798 Discontinued
0.6949 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6946 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6943 Remote Similarity NPD4908 Phase 1
0.6927 Remote Similarity NPD7696 Phase 3
0.6927 Remote Similarity NPD7697 Approved
0.6927 Remote Similarity NPD7698 Approved
0.6914 Remote Similarity NPD7033 Discontinued
0.6908 Remote Similarity NPD17 Approved
0.6901 Remote Similarity NPD6385 Approved
0.6901 Remote Similarity NPD6386 Approved
0.6891 Remote Similarity NPD7870 Phase 2
0.6891 Remote Similarity NPD7871 Phase 2
0.6886 Remote Similarity NPD4357 Discontinued
0.6879 Remote Similarity NPD5353 Approved
0.6879 Remote Similarity NPD2861 Phase 2
0.6875 Remote Similarity NPD1558 Phase 1
0.6872 Remote Similarity NPD7701 Phase 2
0.6871 Remote Similarity NPD228 Approved
0.6862 Remote Similarity NPD6534 Approved
0.6862 Remote Similarity NPD4360 Phase 2
0.6862 Remote Similarity NPD4363 Phase 3
0.6862 Remote Similarity NPD6535 Approved
0.6859 Remote Similarity NPD3267 Approved
0.6859 Remote Similarity NPD3266 Approved
0.6855 Remote Similarity NPD3764 Approved
0.6855 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6848 Remote Similarity NPD2654 Approved
0.6848 Remote Similarity NPD1652 Phase 2
0.6845 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6839 Remote Similarity NPD2982 Phase 2
0.6839 Remote Similarity NPD2983 Phase 2
0.6836 Remote Similarity NPD5711 Approved
0.6836 Remote Similarity NPD5710 Approved
0.6832 Remote Similarity NPD6355 Discontinued
0.6828 Remote Similarity NPD4287 Approved
0.6826 Remote Similarity NPD3300 Phase 2
0.6821 Remote Similarity NPD5536 Phase 2

Structure

External Identifiers

PubChem CID   5280647
ChEMBL   CHEMBL253570
ZINC  

Physicochemical Properties

Molecular Weight:  318.04
ALogP:  -3.2615
MLogP:  2.23
XLogP:  0.847
# Rotatable Bonds:  7
Polar Surface Area:  147.68
# H-Bond Aceptor:  2
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  23

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs