Natural Product: NPC149209

Natural Product ID:  NPC149209
Common Name:   Butanoic Acid
IUPAC Name:   butanoic acid
Synonyms:   Butanoic acid
Molecular Formula:   C4H8O2
Standard InCHIKey:  FERIUCNNQQJTOY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
Canonical SMILES:  CCCC(=O)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
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO19494 Alstonia boonei Species Apocynaceae Eukaryota UNPD*
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota UNPD*
NPO16271 Thelesperma megapotamicum Species Asteraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota UNPD*
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota UNPD*
NPO11641 Solanum laxum Species Solanaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19573517]
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota UNPD*
NPO7969 Peribatodes rhomboidaria Species Geometridae Eukaryota UNPD*
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24246267]
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota UNPD*
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota UNPD*
NPO17633 Viguiera incana Species Asteraceae Eukaryota UNPD*
NPO25894 Diploknema butyracea Species Sapotaceae Eukaryota UNPD*
NPO15849 Cochliobolus setariae Species Pleosporaceae Eukaryota UNPD*
NPO30193 Mycoplasma genitalium Species Mycoplasmataceae Bacteria PMID[22817898]
NPO8344 Wedelia rugosa Species Asteraceae Eukaryota UNPD*
NPO24324 Halobacterium salinarum Species Halobacteriaceae Archaea UNPD*
NPO23597 Monanthotaxis buchananii Species Annonaceae Eukaryota UNPD*
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota UNPD*
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota UNPD*
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota UNPD*
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota UNPD*
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota UNPD*
NPO10989 Annona cornifolia Species Annonaceae Eukaryota UNPD*
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota UNPD*
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota UNPD*
NPO26435 Cistanches herba NA NA NA TCMSP*
NPO7367 Sarcophyton acutangulum Species Orchidaceae Eukaryota UNPD*
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria UNPD*
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota UNPD*
NPO17544 Acacia adunca Species Fabaceae Eukaryota UNPD*
NPO489 Codonopsis radix Species Campanulaceae Eukaryota TCMSP*
NPO24712 Eria rupestris Species Orchidaceae Eukaryota UNPD*
NPO10352 Genista monosperma Species Fabaceae Eukaryota UNPD*
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota UNPD*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*
NPO13847 Streptomyces avermitilis Species Streptomycetaceae Bacteria UNPD*
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota UNPD*
NPO16472 Ginkgo semen Species Ginkgoaceae Eukaryota TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota UNPD*
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota UNPD*
NPO25611 Smilax china Species Smilacaceae Eukaryota UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO21724 Sabina sargentii NA NA NA UNPD*
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota UNPD*
NPO7727 Momordicae fructus NA NA NA TCMSP*
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota UNPD*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota UNPD*
NPO13318 Euphorbiae helioscopiae herba NA NA NA TCMSP*
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota UNPD*
NPO14375 Casearia guianensis Species Salicaceae Eukaryota UNPD*
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria StreptomeDB*
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota UNPD*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota TM-MC*
NPO13849 Spongia fistularis Species Spongiidae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO19304 Goniothalamus montanus Species Annonaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota UNPD*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO14859 Bishovia boliviensis NA NA NA UNPD*
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota UNPD*
NPO851 Eupatorium lindleyanum Species Asteraceae Eukaryota TM-MC*
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota UNPD*
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota UNPD*
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota UNPD*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO15063 Leathesia nana Species Chordariaceae Eukaryota UNPD*
NPO12119 Salpianthus arenarius Species Nyctaginaceae Eukaryota UNPD*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota UNPD*
NPO15552 Anacystis montana NA NA NA UNPD*
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota UNPD*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota TM-MC*
NPO15803 Artemisia assoana Species Asteraceae Eukaryota UNPD*
NPO4205 Acer mandshuricum Species Sapindaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO7562 Premna odorata Species Lamiaceae Eukaryota UNPD*
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota UNPD*
NPO15227 Helipterum roseum Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 1525000 nM 1542095
NPT4694 Cell Line WEHI Mus musculus IC50 = 850000 nM 1542095
NPT319 Cell Line B16 Mus musculus IC50 = 933000 nM 1542095
NPT116 Cell Line HL-60 Homo sapiens ED50 = 0.285 nM 10956204
NPT4695 Cell Line 3LLD122 IC50 > 1000000 nM 10956204
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 250000 nM 10956204
NPT111 Cell Line K562 Homo sapiens IC50 = 2400000 nM 10560743
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 3467368.5 nM 17553798
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 3500000 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki = 81283.05 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki = 82000 nM 17553798
NPT111 Cell Line K562 Homo sapiens Activity = 32.5 % 19072686
NPT380 Cell Line U-251 Homo sapiens Activity = 126 % 19007111
NPT380 Cell Line U-251 Homo sapiens IC50 = 932000 nM 19007111
NPT2 Others Unspecified Inhibition = 74 % 19007111
NPT2 Others Unspecified Inhibition = 80 % 19007111
NPT2 Others Unspecified IC50 > 10000000 nM 18942826
NPT111 Cell Line K562 Homo sapiens IC50 = 2000000 nM 18571290
NPT111 Cell Line K562 Homo sapiens Activity = 32.5 % 18571290
NPT2 Others Unspecified Activity = 0.1 % 2553872
NPT2 Others Unspecified Activity = 34.5 % 2553872
NPT664 Protein Family Histone deacetylase Homo sapiens Ki = 136000 nM 19520580
NPT32 Organism Mus musculus Mus musculus LD100 = 5000 mg/kg 19465932
NPT29 Organism Rattus norvegicus Rattus norvegicus LD50 = 8790 mg/kg 19465932
NPT684 Individual Protein Histone deacetylase 1 Homo sapiens IC50 = 16000 nM 21874153
NPT685 Individual Protein Histone deacetylase 2 Homo sapiens IC50 = 12000 nM 21874153
NPT686 Individual Protein Histone deacetylase 3 Homo sapiens IC50 = 9000 nM 21874153
NPT687 Individual Protein Histone deacetylase 8 Homo sapiens IC50 = 15000 nM 21874153
NPT688 Individual Protein Histone deacetylase 4 Homo sapiens IC50 > 2000000 nM 21874153
NPT689 Individual Protein Histone deacetylase 5 Homo sapiens IC50 > 2000000 nM 21874153
NPT690 Individual Protein Histone deacetylase 7 Homo sapiens IC50 > 2000000 nM 21874153
NPT691 Individual Protein Histone deacetylase 9 Homo sapiens IC50 > 2000000 nM 21874153
NPT692 Individual Protein Histone deacetylase 6 Homo sapiens IC50 > 2000000 nM 21874153
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 0 % 20715837
NPT527 Organism Radish Raphanus sativus Activity = 0 % 20715837
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 0.01 umol/ml 20715837
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 0.1 umol/ml 20715837
NPT527 Organism Radish Raphanus sativus Activity = 0.1 umol/ml 20715837
NPT527 Organism Radish Raphanus sativus Activity = 0.01 umol/ml 20715837
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity > 30 ug/ml 20925380
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 40.7 ug/ml 20925380
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 69.8 ug/ml 20925380
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 14.13 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 21.47 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 20.37 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 8.17 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 17.17 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 13.9 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 4.47 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 7.87 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 6.7 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 0.67 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 2 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 1.6 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 40.7 ug/ml 23136941
NPT2 Others Unspecified Potency 20504.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1535.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8163 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7275.3 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 691.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 72162.2 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 NPC149209 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
0.8889 High Similarity NPC174368
0.8889 High Similarity NPC151140
0.8889 High Similarity NPC104195
0.8889 High Similarity NPC61066
0.8889 High Similarity NPC122768
0.8462 Intermediate Similarity NPC314668
0.8462 Intermediate Similarity NPC230726
0.8333 Intermediate Similarity NPC181153
0.8276 Intermediate Similarity NPC280532
0.8214 Intermediate Similarity NPC292641
0.8077 Intermediate Similarity NPC28246
0.8 Intermediate Similarity NPC175342
0.7931 Intermediate Similarity NPC198126
0.7931 Intermediate Similarity NPC320981
0.7857 Intermediate Similarity NPC236709
0.7742 Intermediate Similarity NPC127142
0.7742 Intermediate Similarity NPC7814
0.7742 Intermediate Similarity NPC307027
0.75 Intermediate Similarity NPC143211
0.75 Intermediate Similarity NPC191084
0.75 Intermediate Similarity NPC316685
0.75 Intermediate Similarity NPC250870
0.75 Intermediate Similarity NPC168052
0.7419 Intermediate Similarity NPC125575
0.7419 Intermediate Similarity NPC328710
0.7419 Intermediate Similarity NPC18224
0.7308 Intermediate Similarity NPC203105
0.7308 Intermediate Similarity NPC8187
0.7273 Intermediate Similarity NPC155263
0.7273 Intermediate Similarity NPC5505
0.7143 Intermediate Similarity NPC286233
0.7143 Intermediate Similarity NPC166804
0.7097 Intermediate Similarity NPC212144
0.7097 Intermediate Similarity NPC328569
0.7083 Intermediate Similarity NPC68873
0.7059 Intermediate Similarity NPC158179
0.7059 Intermediate Similarity NPC206924
0.7059 Intermediate Similarity NPC252843
0.7059 Intermediate Similarity NPC109026
0.7 Intermediate Similarity NPC180423
0.697 Remote Similarity NPC317203
0.6875 Remote Similarity NPC14778
0.6857 Remote Similarity NPC38930
0.6857 Remote Similarity NPC325454
0.6857 Remote Similarity NPC73245
0.6786 Remote Similarity NPC41485
0.6786 Remote Similarity NPC3693
0.6786 Remote Similarity NPC32280
0.6774 Remote Similarity NPC21374
0.6774 Remote Similarity NPC302611
0.6774 Remote Similarity NPC241404
0.6774 Remote Similarity NPC16947
0.6765 Remote Similarity NPC134782
0.6667 Remote Similarity NPC261080
0.6667 Remote Similarity NPC222792
0.6667 Remote Similarity NPC316217
0.6667 Remote Similarity NPC201844
0.6667 Remote Similarity NPC301696
0.6667 Remote Similarity NPC329545
0.6667 Remote Similarity NPC301585
0.6667 Remote Similarity NPC154186
0.6667 Remote Similarity NPC279026
0.6667 Remote Similarity NPC14227
0.6667 Remote Similarity NPC113928
0.6667 Remote Similarity NPC3531
0.6571 Remote Similarity NPC317945
0.6562 Remote Similarity NPC12904
0.6552 Remote Similarity NPC259649
0.6552 Remote Similarity NPC3343
0.6552 Remote Similarity NPC211250
0.6538 Remote Similarity NPC260610
0.6486 Remote Similarity NPC66043
0.6486 Remote Similarity NPC326992
0.6486 Remote Similarity NPC121517
0.6486 Remote Similarity NPC168375
0.6452 Remote Similarity NPC248139
0.6429 Remote Similarity NPC110107
0.64 Remote Similarity NPC283245
0.6389 Remote Similarity NPC18188
0.6389 Remote Similarity NPC268826
0.6364 Remote Similarity NPC286695
0.6364 Remote Similarity NPC178643
0.6364 Remote Similarity NPC94196
0.6364 Remote Similarity NPC168714
0.6364 Remote Similarity NPC108238
0.6364 Remote Similarity NPC35371
0.6364 Remote Similarity NPC41007
0.6333 Remote Similarity NPC320704
0.6333 Remote Similarity NPC283626
0.6333 Remote Similarity NPC248233
0.6316 Remote Similarity NPC171736
0.6316 Remote Similarity NPC149184
0.6316 Remote Similarity NPC325452
0.6316 Remote Similarity NPC216630
0.6316 Remote Similarity NPC248763
0.6316 Remote Similarity NPC103286
0.6316 Remote Similarity NPC307783
0.6316 Remote Similarity NPC163746
0.6316 Remote Similarity NPC209970
0.6316 Remote Similarity NPC196924
0.6296 Remote Similarity NPC222945
0.6286 Remote Similarity NPC1037
0.6286 Remote Similarity NPC9294
0.6216 Remote Similarity NPC183424
0.6216 Remote Similarity NPC214610
0.6216 Remote Similarity NPC294085
0.6216 Remote Similarity NPC118968
0.6176 Remote Similarity NPC154396
0.6176 Remote Similarity NPC57499
0.6176 Remote Similarity NPC217161
0.6154 Remote Similarity NPC291186
0.6154 Remote Similarity NPC301528
0.6154 Remote Similarity NPC167986
0.6154 Remote Similarity NPC129972
0.6154 Remote Similarity NPC67462
0.6154 Remote Similarity NPC71317
0.6154 Remote Similarity NPC310220
0.6154 Remote Similarity NPC37493
0.6154 Remote Similarity NPC289686
0.6129 Remote Similarity NPC317739
0.6129 Remote Similarity NPC281943
0.6129 Remote Similarity NPC55956
0.6129 Remote Similarity NPC234005
0.6111 Remote Similarity NPC321569
0.6071 Remote Similarity NPC185768
0.6071 Remote Similarity NPC23508
0.6071 Remote Similarity NPC33928
0.6061 Remote Similarity NPC307739
0.6061 Remote Similarity NPC76217
0.6053 Remote Similarity NPC240109
0.6 Remote Similarity NPC201132
0.6 Remote Similarity NPC319680
0.6 Remote Similarity NPC19305
0.6 Remote Similarity NPC43264
0.6 Remote Similarity NPC132307
0.6 Remote Similarity NPC156630
0.6 Remote Similarity NPC325097
0.6 Remote Similarity NPC126925
0.6 Remote Similarity NPC74845
0.6 Remote Similarity NPC255837
0.6 Remote Similarity NPC325165
0.6 Remote Similarity NPC270796
0.6 Remote Similarity NPC127134
0.5946 Remote Similarity NPC128713
0.5938 Remote Similarity NPC127696
0.5938 Remote Similarity NPC270334
0.5926 Remote Similarity NPC141986
0.5926 Remote Similarity NPC294703
0.5897 Remote Similarity NPC35661
0.5882 Remote Similarity NPC322892
0.5882 Remote Similarity NPC99700
0.5882 Remote Similarity NPC217218
0.5862 Remote Similarity NPC8368
0.5862 Remote Similarity NPC30338
0.5854 Remote Similarity NPC327698
0.5854 Remote Similarity NPC118459
0.5854 Remote Similarity NPC55023
0.5854 Remote Similarity NPC8219
0.5833 Remote Similarity NPC154642
0.5833 Remote Similarity NPC321699
0.5833 Remote Similarity NPC103612
0.5833 Remote Similarity NPC80641
0.5833 Remote Similarity NPC24967
0.5833 Remote Similarity NPC80396
0.5833 Remote Similarity NPC229838
0.5769 Remote Similarity NPC211453
0.5769 Remote Similarity NPC137050
0.5769 Remote Similarity NPC7922
0.5769 Remote Similarity NPC171188
0.5758 Remote Similarity NPC265882
0.5758 Remote Similarity NPC5934
0.575 Remote Similarity NPC276294
0.5714 Remote Similarity NPC32603
0.5714 Remote Similarity NPC219266
0.5714 Remote Similarity NPC12438
0.5714 Remote Similarity NPC133771
0.5714 Remote Similarity NPC30195
0.5714 Remote Similarity NPC37479
0.5714 Remote Similarity NPC117572
0.5714 Remote Similarity NPC314679
0.5676 Remote Similarity NPC14608
0.5667 Remote Similarity NPC88887
0.5641 Remote Similarity NPC53449
0.5625 Remote Similarity NPC88135
0.561 Remote Similarity NPC323974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC149209 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
0.8333 Intermediate Similarity NPD8616 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD8201 Phase 2
0.8333 Intermediate Similarity NPD8615 Phase 2
0.7931 Intermediate Similarity NPD8618 Approved
0.7931 Intermediate Similarity NPD8590 Approved
0.7857 Intermediate Similarity NPD8593 Approved
0.7857 Intermediate Similarity NPD8594 Approved
0.7742 Intermediate Similarity NPD8857 Approved
0.7586 Intermediate Similarity NPD8619 Approved
0.7586 Intermediate Similarity NPD8617 Approved
0.75 Intermediate Similarity NPD8990 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8189 Approved
0.7083 Intermediate Similarity NPD8200 Phase 2
0.7083 Intermediate Similarity NPD7364 Approved
0.6897 Remote Similarity NPD106 Approved
0.6786 Remote Similarity NPD8591 Approved
0.6786 Remote Similarity NPD8592 Approved
0.6667 Remote Similarity NPD633 Phase 3
0.6667 Remote Similarity NPD9450 Approved
0.6667 Remote Similarity NPD9448 Phase 2
0.6667 Remote Similarity NPD77 Approved
0.6486 Remote Similarity NPD9635 Discontinued
0.6471 Remote Similarity NPD8596 Approved
0.6452 Remote Similarity NPD62 Approved
0.6389 Remote Similarity NPD8623 Phase 1
0.6316 Remote Similarity NPD2270 Approved
0.6286 Remote Similarity NPD8597 Approved
0.6216 Remote Similarity NPD9655 Approved
0.6176 Remote Similarity NPD900 Approved
0.6154 Remote Similarity NPD8804 Approved
0.6154 Remote Similarity NPD8805 Approved
0.6061 Remote Similarity NPD8202 Approved
0.6061 Remote Similarity NPD8205 Approved
0.6 Remote Similarity NPD8798 Approved
0.6 Remote Similarity NPD9411 Phase 1
0.6 Remote Similarity NPD5326 Phase 3
0.6 Remote Similarity NPD9447 Approved
0.6 Remote Similarity NPD8989 Approved
0.5897 Remote Similarity NPD9116 Phase 1
0.5854 Remote Similarity NPD3199 Clinical (unspecified phase)
0.5854 Remote Similarity NPD9658 Clinical (unspecified phase)
0.5833 Remote Similarity NPD48 Approved
0.5833 Remote Similarity NPD7362 Approved
0.5833 Remote Similarity NPD7363 Approved
0.5833 Remote Similarity NPD105 Approved
0.5833 Remote Similarity NPD7365 Approved
0.5833 Remote Similarity NPD49 Approved
0.5833 Remote Similarity NPD47 Approved
0.5833 Remote Similarity NPD50 Approved
0.5758 Remote Similarity NPD54 Approved
0.5758 Remote Similarity NPD8204 Approved
0.5758 Remote Similarity NPD8206 Approved
0.5758 Remote Similarity NPD8203 Approved
0.5758 Remote Similarity NPD55 Approved
0.5758 Remote Similarity NPD8856 Phase 2
0.5714 Remote Similarity NPD8190 Phase 2
0.5714 Remote Similarity NPD8801 Approved
0.5714 Remote Similarity NPD4222 Approved
0.5714 Remote Similarity NPD39 Approved
0.5714 Remote Similarity NPD634 Phase 3
0.5676 Remote Similarity NPD9449 Clinical (unspecified phase)
0.561 Remote Similarity NPD9019 Approved
0.561 Remote Similarity NPD8975 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   264
ChEMBL   CHEMBL14227
ZINC  

Physicochemical Properties

Molecular Weight:  88.05
ALogP:  -0.4417
MLogP:  1.68
XLogP:  0.742
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  6

Download Data

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Biological Activities  
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