Natural Product: NPC298796

Natural Product ID:  NPC298796
Common Name:   Citropten
IUPAC Name:   5,7-dimethoxychromen-2-one
Synonyms:   5,7-Dimethoxycoumarin
Molecular Formula:   C11H10O4
Standard InCHIKey:  NXJCRELRQHZBQA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
Canonical SMILES:  COc1cc(OC)c2c(c1)oc(=O)cc2
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
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota HerDing*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO8747 Zanthoxylum belizense Species Rutaceae Eukaryota HerDing*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO12176 Streptomyces olivaceus Species Streptomycetaceae Bacteria UNPD*
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota TM-MC*
NPO3614 Echinopepon bigelovii Species Cucurbitaceae Eukaryota UNPD*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO17456 Echinochloa esculenta Species Poaceae Eukaryota UNPD*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCMID*
NPO12422 Pinus massoniana Species Pinaceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCMID*
NPO6669 Dysosma delavayi Species Berberidaceae Eukaryota UNPD*
NPO8747 Zanthoxylum belizense Species Rutaceae Eukaryota TCMID*
NPO16792 Nocardia pseudobrasiliensis Species Nocardiaceae Bacteria UNPD*
NPO1383.1 Murraya paniculata var. omphalocarpa Varieties Rutaceae Eukaryota TCMID*
NPO10354 Urbanodendron verrucosum Species Lauraceae Eukaryota UNPD*
NPO17284 Bidens andicola Species Asteraceae Eukaryota UNPD*
NPO319 Citrus limon Species Rutaceae Eukaryota TCMID*
NPO26797 Laurencia glandulifera Species Rhodomelaceae Eukaryota UNPD*
NPO3017 Artemisia caucasica Species Asteraceae Eukaryota UNPD*
NPO15730.2 Citrus medica var. sarcodactylis Varieties Rutaceae Eukaryota TCMID*
NPO9496 Gomphostemma crinitum Species Lamiaceae Eukaryota UNPD*
NPO25636 Bunium paucifolium Species Apiaceae Eukaryota UNPD*
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota TCMID*
NPO27010 Halosaccion ramentaceum Species Palmariaceae Eukaryota UNPD*
NPO11400 Aster ptarmicoides Species Asteraceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO8414 Crella incrustans Species Crellidae Eukaryota UNPD*
NPO6235 Exobasidium vaccinii Species Exobasidiaceae Eukaryota UNPD*
NPO7327 Aeromonas hydrophila Species Aeromonadaceae Bacteria UNPD*
NPO10560 Adenia fruticosa Species Passifloraceae Eukaryota UNPD*
NPO16343 Galium album Species Rubiaceae Eukaryota UNPD*
NPO7991 Lactarius vellereus Species Russulaceae Eukaryota UNPD*
NPO7653 Mosla japonica Species Lamiaceae Eukaryota UNPD*
NPO12874 Sedum cepaea Species Crassulaceae Eukaryota UNPD*
NPO2291 Saussurea pulchella Species Asteraceae Eukaryota UNPD*
NPO4033 Corydalis gigantea Species Papaveraceae Eukaryota UNPD*
NPO2582 Plagiomnium undulatum Species Mniaceae Eukaryota UNPD*
NPO4970 Torricellia tiliifolia Species Torricelliaceae Eukaryota UNPD*
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota UNPD*
NPO10719 Centrosema haitense Species Fabaceae Eukaryota UNPD*
NPO11237 Bupleurum salicifolium Species Apiaceae Eukaryota UNPD*
NPO12659 Hopea brevipetiolaris Species Dipterocarpaceae Eukaryota UNPD*
NPO9648 Maharanga bicolor Species Boraginaceae Eukaryota UNPD*
NPO1460 Rubus phoenicolasius Species Rosaceae Eukaryota UNPD*
NPO17193 Picridium crystallinum NA NA NA UNPD*
NPO1164 Osteospermum hyoseroides Species Asteraceae Eukaryota UNPD*
NPO9018 Millettia rubiginosa Species Fabaceae Eukaryota UNPD*
NPO20210 Lophozia floerkei Species Scapaniaceae Eukaryota UNPD*
NPO18454 Ligularia hodgsonii Species Asteraceae Eukaryota UNPD*
NPO29542 Lobeliae chinensis herba NA NA NA TCMSP*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TCM_Taiwan*
NPO29646 Citri fructus NA NA NA TCMSP*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCM_Taiwan*
NPO29607 Citri sarcodactylis fructus NA NA NA TCMSP*
NPO15730 Citrus medica Species Rutaceae Eukaryota HerDing*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO15730.2 Citrus medica var. sarcodactylis Varieties Rutaceae Eukaryota TCM_Taiwan*
NPO15730.2 Citrus medica var. sarcodactylis Varieties Rutaceae Eukaryota HerDing*
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota HerDing*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota HerDing*
NPO319 Citrus limon Species Rutaceae Eukaryota TCM_Taiwan*
NPO319 Citrus limon Species Rutaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 7 mm 15679322
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis IZ = 11 mm 15679322
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 11 mm 15679322
NPT1033 Organism Enterobacter cloacae Enterobacter cloacae IZ = 7 mm 15679322
NPT19 Organism Escherichia coli Escherichia coli IZ = 7 mm 15679322
NPT172 Organism Proteus mirabilis Proteus mirabilis IZ = 7 mm 15679322
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae IZ = 7 mm 15679322
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 31622.8 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 35481.3 nM PubChem BioAssay data set
NPT864 Individual Protein Lethal(3)malignant brain tumor-like protein 1 Homo sapiens Potency = 39.8 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 20587.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 17782.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 28183.8 nM PubChem BioAssay data set
NPT156 Individual Protein Sphingomyelin phosphodiesterase Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 81.95 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 105.53 % 23571415
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38570.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54941 nM PubChem BioAssay data set

  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 NPC298796 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
0.991 High Similarity NPC265547
0.991 High Similarity NPC152306
0.9823 High Similarity NPC163200
0.9821 High Similarity NPC281356
0.9732 High Similarity NPC96705
0.973 High Similarity NPC128633
0.9649 High Similarity NPC235190
0.9649 High Similarity NPC180006
0.9569 High Similarity NPC109675
0.9569 High Similarity NPC273772
0.9569 High Similarity NPC472518
0.9565 High Similarity NPC144418
0.9487 High Similarity NPC73413
0.9487 High Similarity NPC27671
0.9487 High Similarity NPC201667
0.9483 High Similarity NPC248429
0.9483 High Similarity NPC96286
0.9402 High Similarity NPC290605
0.9402 High Similarity NPC173350
0.9402 High Similarity NPC315807
0.9402 High Similarity NPC154176
0.9316 High Similarity NPC13007
0.9316 High Similarity NPC257188
0.931 High Similarity NPC302107
0.931 High Similarity NPC319378
0.925 High Similarity NPC258567
0.925 High Similarity NPC121740
0.925 High Similarity NPC224774
0.9244 High Similarity NPC471827
0.9244 High Similarity NPC471828
0.9231 High Similarity NPC187868
0.9231 High Similarity NPC52247
0.9224 High Similarity NPC247553
0.9174 High Similarity NPC469453
0.9174 High Similarity NPC199204
0.9174 High Similarity NPC185066
0.9174 High Similarity NPC472519
0.9167 High Similarity NPC234109
0.9167 High Similarity NPC471826
0.9167 High Similarity NPC188327
0.916 High Similarity NPC111347
0.9098 High Similarity NPC168710
0.9083 High Similarity NPC93219
0.9083 High Similarity NPC244495
0.9076 High Similarity NPC50720
0.9024 High Similarity NPC244799
0.9024 High Similarity NPC19242
0.9024 High Similarity NPC113098
0.9024 High Similarity NPC80170
0.9024 High Similarity NPC240722
0.9018 High Similarity NPC106141
0.9008 High Similarity NPC101894
0.9 High Similarity NPC291899
0.8992 High Similarity NPC150214
0.8952 High Similarity NPC29734
0.8952 High Similarity NPC272650
0.8952 High Similarity NPC267336
0.8943 High Similarity NPC474289
0.8943 High Similarity NPC123127
0.8943 High Similarity NPC27239
0.8934 High Similarity NPC243688
0.8929 High Similarity NPC149545
0.8926 High Similarity NPC168259
0.888 High Similarity NPC19157
0.888 High Similarity NPC194277
0.888 High Similarity NPC14248
0.888 High Similarity NPC137669
0.888 High Similarity NPC175159
0.8862 High Similarity NPC157212
0.8839 High Similarity NPC291837
0.881 High Similarity NPC55147
0.881 High Similarity NPC2363
0.881 High Similarity NPC233018
0.881 High Similarity NPC318400
0.881 High Similarity NPC469449
0.881 High Similarity NPC133956
0.881 High Similarity NPC207002
0.881 High Similarity NPC167111
0.881 High Similarity NPC471910
0.881 High Similarity NPC296624
0.881 High Similarity NPC241341
0.881 High Similarity NPC7526
0.881 High Similarity NPC222036
0.881 High Similarity NPC31849
0.881 High Similarity NPC36437
0.881 High Similarity NPC163557
0.88 High Similarity NPC472517
0.877 High Similarity NPC232692
0.877 High Similarity NPC202594
0.876 High Similarity NPC143725
0.874 High Similarity NPC195343
0.874 High Similarity NPC326600
0.874 High Similarity NPC309953
0.874 High Similarity NPC260265
0.874 High Similarity NPC307412
0.874 High Similarity NPC55149
0.874 High Similarity NPC166672
0.874 High Similarity NPC74655
0.874 High Similarity NPC50896
0.874 High Similarity NPC319859
0.874 High Similarity NPC18804
0.874 High Similarity NPC127888
0.874 High Similarity NPC267412
0.874 High Similarity NPC98179
0.874 High Similarity NPC164269
0.874 High Similarity NPC100986
0.874 High Similarity NPC47163
0.874 High Similarity NPC287182
0.874 High Similarity NPC198381
0.874 High Similarity NPC253574
0.874 High Similarity NPC204353
0.874 High Similarity NPC84894
0.874 High Similarity NPC62366
0.874 High Similarity NPC92830
0.8739 High Similarity NPC139891
0.873 High Similarity NPC123954
0.872 High Similarity NPC32463
0.8684 High Similarity NPC231251
0.8684 High Similarity NPC88868
0.8684 High Similarity NPC25067
0.8672 High Similarity NPC86892
0.8672 High Similarity NPC471909
0.8672 High Similarity NPC469675
0.8672 High Similarity NPC66705
0.8672 High Similarity NPC281241
0.8672 High Similarity NPC33986
0.8672 High Similarity NPC472424
0.8672 High Similarity NPC471625
0.8661 High Similarity NPC472524
0.8661 High Similarity NPC54503
0.8649 High Similarity NPC109637
0.8629 High Similarity NPC194841
0.8629 High Similarity NPC289316
0.8605 High Similarity NPC167517
0.8605 High Similarity NPC55615
0.8605 High Similarity NPC476455
0.8605 High Similarity NPC38099
0.8605 High Similarity NPC283019
0.8605 High Similarity NPC149320
0.8605 High Similarity NPC78746
0.8605 High Similarity NPC26954
0.8605 High Similarity NPC128529
0.8605 High Similarity NPC283331
0.8605 High Similarity NPC188380
0.8605 High Similarity NPC224543
0.8605 High Similarity NPC177281
0.8605 High Similarity NPC471630
0.8605 High Similarity NPC160727
0.8594 High Similarity NPC180716
0.8594 High Similarity NPC213173
0.8594 High Similarity NPC224475
0.8583 High Similarity NPC319969
0.8583 High Similarity NPC281558
0.8583 High Similarity NPC469956
0.8571 High Similarity NPC128730
0.856 High Similarity NPC139595
0.856 High Similarity NPC474651
0.856 High Similarity NPC60704
0.856 High Similarity NPC293642
0.856 High Similarity NPC474623
0.8548 High Similarity NPC163248
0.8548 High Similarity NPC127604
0.8547 High Similarity NPC87563
0.8538 High Similarity NPC472516
0.8538 High Similarity NPC20511
0.8538 High Similarity NPC281014
0.8538 High Similarity NPC76336
0.8538 High Similarity NPC184861
0.8538 High Similarity NPC225106
0.8538 High Similarity NPC139548
0.8538 High Similarity NPC95162
0.8538 High Similarity NPC294456
0.8538 High Similarity NPC20796
0.8538 High Similarity NPC232246
0.8538 High Similarity NPC212124
0.8538 High Similarity NPC306365
0.8538 High Similarity NPC471068
0.8538 High Similarity NPC52086
0.8538 High Similarity NPC148835
0.8538 High Similarity NPC155963
0.8538 High Similarity NPC131198
0.8538 High Similarity NPC471069
0.8538 High Similarity NPC153818
0.8538 High Similarity NPC14697
0.8527 High Similarity NPC472525
0.8527 High Similarity NPC240915
0.8527 High Similarity NPC61499
0.8527 High Similarity NPC234865
0.8527 High Similarity NPC229128
0.8522 High Similarity NPC141068
0.8516 High Similarity NPC469952
0.8516 High Similarity NPC469955
0.8504 High Similarity NPC250727
0.8504 High Similarity NPC73738
0.8496 Intermediate Similarity NPC176971
0.8487 Intermediate Similarity NPC471503
0.8487 Intermediate Similarity NPC471498
0.8482 Intermediate Similarity NPC283546
0.8473 Intermediate Similarity NPC164148
0.8473 Intermediate Similarity NPC270256

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC298796 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
0.9231 High Similarity NPD422 Phase 1
0.8862 High Similarity NPD1008 Clinical (unspecified phase)
0.8739 High Similarity NPD9697 Approved
0.8571 High Similarity NPD1296 Phase 2
0.8281 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8264 Intermediate Similarity NPD1548 Phase 1
0.8261 Intermediate Similarity NPD1358 Approved
0.8231 Intermediate Similarity NPD5124 Phase 1
0.8231 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8209 Intermediate Similarity NPD1652 Phase 2
0.8182 Intermediate Similarity NPD3748 Approved
0.8174 Intermediate Similarity NPD3134 Approved
0.8095 Intermediate Similarity NPD3225 Approved
0.8067 Intermediate Similarity NPD5535 Approved
0.7941 Intermediate Similarity NPD1243 Approved
0.7937 Intermediate Similarity NPD9717 Approved
0.7891 Intermediate Similarity NPD3267 Approved
0.7891 Intermediate Similarity NPD3266 Approved
0.7883 Intermediate Similarity NPD3750 Approved
0.7857 Intermediate Similarity NPD1610 Phase 2
0.7852 Intermediate Similarity NPD1551 Phase 2
0.7852 Intermediate Similarity NPD2796 Approved
0.7851 Intermediate Similarity NPD1241 Discontinued
0.7846 Intermediate Similarity NPD6832 Phase 2
0.7842 Intermediate Similarity NPD6799 Approved
0.7829 Intermediate Similarity NPD1019 Discontinued
0.7801 Intermediate Similarity NPD920 Approved
0.777 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7752 Intermediate Similarity NPD2797 Approved
0.7752 Intermediate Similarity NPD1203 Approved
0.7746 Intermediate Similarity NPD1653 Approved
0.7737 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD4908 Phase 1
0.766 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD3496 Discontinued
0.7619 Intermediate Similarity NPD5691 Approved
0.7612 Intermediate Similarity NPD4307 Phase 2
0.7612 Intermediate Similarity NPD1240 Approved
0.7609 Intermediate Similarity NPD1549 Phase 2
0.7594 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD3268 Approved
0.7559 Intermediate Similarity NPD1778 Approved
0.7556 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD5401 Approved
0.7518 Intermediate Similarity NPD1510 Phase 2
0.7517 Intermediate Similarity NPD6599 Discontinued
0.75 Intermediate Similarity NPD290 Approved
0.75 Intermediate Similarity NPD1607 Approved
0.75 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD7411 Suspended
0.7448 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD1611 Approved
0.7442 Intermediate Similarity NPD1091 Approved
0.7431 Intermediate Similarity NPD5403 Approved
0.7429 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD1933 Approved
0.7426 Intermediate Similarity NPD4340 Discontinued
0.7422 Intermediate Similarity NPD17 Approved
0.7422 Intermediate Similarity NPD4626 Approved
0.7415 Intermediate Similarity NPD6801 Discontinued
0.7413 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD9545 Approved
0.74 Intermediate Similarity NPD919 Approved
0.7391 Intermediate Similarity NPD4308 Phase 3
0.7368 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD3018 Phase 2
0.7365 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7819 Suspended
0.7361 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD1613 Approved
0.7353 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD411 Approved
0.7328 Intermediate Similarity NPD4749 Approved
0.7315 Intermediate Similarity NPD3817 Phase 2
0.7299 Intermediate Similarity NPD447 Suspended
0.7295 Intermediate Similarity NPD2684 Approved
0.7292 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7768 Phase 2
0.7266 Intermediate Similarity NPD7033 Discontinued
0.7266 Intermediate Similarity NPD1894 Discontinued
0.7252 Intermediate Similarity NPD2981 Phase 2
0.7252 Intermediate Similarity NPD1608 Approved
0.7244 Intermediate Similarity NPD9493 Approved
0.7241 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD846 Approved
0.7227 Intermediate Similarity NPD940 Approved
0.7222 Intermediate Similarity NPD1511 Approved
0.7219 Intermediate Similarity NPD7075 Discontinued
0.7209 Intermediate Similarity NPD5585 Approved
0.7206 Intermediate Similarity NPD6798 Discontinued
0.72 Intermediate Similarity NPD7843 Approved
0.72 Intermediate Similarity NPD4288 Approved
0.7197 Intermediate Similarity NPD2983 Phase 2
0.7197 Intermediate Similarity NPD2982 Phase 2
0.7188 Intermediate Similarity NPD5536 Phase 2
0.7176 Intermediate Similarity NPD1535 Discovery
0.7176 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD230 Phase 1
0.7143 Intermediate Similarity NPD2799 Discontinued
0.7133 Intermediate Similarity NPD4628 Phase 3
0.7132 Intermediate Similarity NPD4625 Phase 3
0.7131 Intermediate Similarity NPD968 Approved
0.7123 Intermediate Similarity NPD1512 Approved
0.7121 Intermediate Similarity NPD1481 Phase 2
0.7114 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD3749 Approved
0.7103 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD4060 Phase 1
0.7099 Intermediate Similarity NPD3847 Discontinued
0.7092 Intermediate Similarity NPD2935 Discontinued
0.7086 Intermediate Similarity NPD5402 Approved
0.708 Intermediate Similarity NPD1048 Approved
0.708 Intermediate Similarity NPD2313 Discontinued
0.708 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD821 Approved
0.705 Intermediate Similarity NPD6355 Discontinued
0.7039 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7157 Approved
0.7029 Intermediate Similarity NPD6233 Phase 2
0.702 Intermediate Similarity NPD2801 Approved
0.7015 Intermediate Similarity NPD8651 Approved
0.7007 Intermediate Similarity NPD3027 Phase 3
0.7 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.6993 Remote Similarity NPD6971 Discontinued
0.6993 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6991 Remote Similarity NPD1282 Approved
0.6986 Remote Similarity NPD7213 Phase 3
0.6986 Remote Similarity NPD7212 Phase 2
0.696 Remote Similarity NPD5451 Approved
0.6954 Remote Similarity NPD1934 Approved
0.695 Remote Similarity NPD2200 Suspended
0.6944 Remote Similarity NPD2654 Approved
0.6943 Remote Similarity NPD7852 Clinical (unspecified phase)
0.694 Remote Similarity NPD4359 Approved
0.6939 Remote Similarity NPD7447 Phase 1
0.6934 Remote Similarity NPD2614 Approved
0.6933 Remote Similarity NPD4380 Phase 2
0.6928 Remote Similarity NPD3882 Suspended
0.6918 Remote Similarity NPD6666 Approved
0.6918 Remote Similarity NPD5844 Phase 1
0.6918 Remote Similarity NPD6667 Approved
0.6917 Remote Similarity NPD1281 Approved
0.6912 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6908 Remote Similarity NPD1465 Phase 2
0.6908 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6906 Remote Similarity NPD4062 Phase 3
0.6899 Remote Similarity NPD6671 Approved
0.6899 Remote Similarity NPD2557 Approved
0.6897 Remote Similarity NPD7466 Approved
0.6892 Remote Similarity NPD2186 Approved
0.6885 Remote Similarity NPD9261 Approved
0.6884 Remote Similarity NPD7095 Approved
0.6884 Remote Similarity NPD5163 Phase 2
0.6884 Remote Similarity NPD5746 Approved
0.6875 Remote Similarity NPD2424 Discontinued
0.6875 Remote Similarity NPD5283 Phase 1
0.6866 Remote Similarity NPD3972 Approved
0.6863 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6861 Remote Similarity NPD2861 Phase 2
0.6861 Remote Similarity NPD2237 Approved
0.686 Remote Similarity NPD1242 Phase 1
0.6859 Remote Similarity NPD1247 Approved
0.6857 Remote Similarity NPD4140 Approved
0.6853 Remote Similarity NPD3539 Phase 1
0.6853 Remote Similarity NPD6100 Approved
0.6853 Remote Similarity NPD6099 Approved
0.6852 Remote Similarity NPD7549 Discontinued
0.685 Remote Similarity NPD1137 Approved
0.685 Remote Similarity NPD1139 Approved
0.6846 Remote Similarity NPD3596 Phase 2
0.6838 Remote Similarity NPD987 Approved
0.6835 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6831 Remote Similarity NPD7097 Phase 1
0.6828 Remote Similarity NPD2800 Approved
0.6824 Remote Similarity NPD2533 Approved
0.6824 Remote Similarity NPD2534 Approved
0.6824 Remote Similarity NPD2532 Approved
0.6815 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6809 Remote Similarity NPD9694 Discovery
0.6806 Remote Similarity NPD2353 Approved
0.6806 Remote Similarity NPD6004 Phase 3
0.6806 Remote Similarity NPD3540 Phase 1
0.6806 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6002 Phase 3
0.6806 Remote Similarity NPD5763 Approved
0.6806 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6005 Phase 3
0.6806 Remote Similarity NPD5762 Approved
0.6806 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1138 Approved
0.6795 Remote Similarity NPD5494 Approved
0.6791 Remote Similarity NPD3705 Approved
0.6788 Remote Similarity NPD2798 Approved

Structure

External Identifiers

PubChem CID   2775
ChEMBL   CHEMBL481049
ZINC  

Physicochemical Properties

Molecular Weight:  206.06
ALogP:  0.1664
MLogP:  2.23
XLogP:  1.607
# Rotatable Bonds:  4
Polar Surface Area:  44.76
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  15

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Structure MOL file  
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Biological Activities  
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