Natural Product: NPC318325

Natural Product ID:  NPC318325
Common Name:   4-Octylphenol
IUPAC Name:   4-octylphenol
Synonyms:   4-Octyl-Phenol; 4-Octylphenol
Molecular Formula:   C14H22O
Standard InCHIKey:  NTDQQZYCCIDJRK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
Canonical SMILES:  CCCCCCCCc1ccc(cc1)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
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT299 Individual Protein Androgen Receptor Rattus norvegicus IC50 = 19054.61 nM 16134935
NPT137 Cell Line L1210 Mus musculus Activity < 15 % 16279782
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 25118.9 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9285 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 11471 nM DrugMatrix in vitro pharmacology data
NPT217 Individual Protein Adenosine A2a receptor Homo sapiens IC50 = 22432 nM DrugMatrix in vitro pharmacology data
NPT217 Individual Protein Adenosine A2a receptor Homo sapiens Ki = 12593 nM DrugMatrix in vitro pharmacology data
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens IC50 = 6014 nM DrugMatrix in vitro pharmacology data
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens Ki = 3399 nM DrugMatrix in vitro pharmacology data
NPT222 Individual Protein Alpha-2a adrenergic receptor Homo sapiens IC50 = 14288 nM DrugMatrix in vitro pharmacology data
NPT222 Individual Protein Alpha-2a adrenergic receptor Homo sapiens Ki = 5358 nM DrugMatrix in vitro pharmacology data
NPT223 Individual Protein Alpha-2b adrenergic receptor Homo sapiens IC50 = 12496 nM DrugMatrix in vitro pharmacology data
NPT223 Individual Protein Alpha-2b adrenergic receptor Homo sapiens Ki = 5705 nM DrugMatrix in vitro pharmacology data
NPT224 Individual Protein Alpha-2c adrenergic receptor Homo sapiens IC50 = 14234 nM DrugMatrix in vitro pharmacology data
NPT224 Individual Protein Alpha-2c adrenergic receptor Homo sapiens Ki = 2068 nM DrugMatrix in vitro pharmacology data
NPT228 Individual Protein Norepinephrine transporter Homo sapiens IC50 = 61647 nM DrugMatrix in vitro pharmacology data
NPT228 Individual Protein Norepinephrine transporter Homo sapiens Ki = 61138 nM DrugMatrix in vitro pharmacology data
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 10319 nM DrugMatrix in vitro pharmacology data
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 2862 nM DrugMatrix in vitro pharmacology data
NPT246 Individual Protein Dopamine transporter Homo sapiens IC50 = 8491 nM DrugMatrix in vitro pharmacology data
NPT246 Individual Protein Dopamine transporter Homo sapiens Ki = 6746 nM DrugMatrix in vitro pharmacology data
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens IC50 = 27674 nM DrugMatrix in vitro pharmacology data
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Ki = 7907 nM DrugMatrix in vitro pharmacology data
NPT257 Individual Protein Arachidonate 15-lipoxygenase Oryctolagus cuniculus IC50 = 4093 nM DrugMatrix in vitro pharmacology data
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 18013 nM DrugMatrix in vitro pharmacology data
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ki = 4338 nM DrugMatrix in vitro pharmacology data
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens IC50 = 12466 nM DrugMatrix in vitro pharmacology data
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens Ki = 4432 nM DrugMatrix in vitro pharmacology data
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens IC50 = 19004 nM DrugMatrix in vitro pharmacology data
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens Ki = 4028 nM DrugMatrix in vitro pharmacology data
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens IC50 = 30764 nM DrugMatrix in vitro pharmacology data
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens Ki = 22102 nM DrugMatrix in vitro pharmacology data
NPT283 Individual Protein MAP kinase p38 alpha Homo sapiens IC50 = 15016 nM DrugMatrix in vitro pharmacology data
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 16219 nM DrugMatrix in vitro pharmacology data
NPT13 Individual Protein Tyrosine-protein kinase LCK Homo sapiens IC50 = 22054 nM DrugMatrix in vitro pharmacology data
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 6973 nM DrugMatrix in vitro pharmacology data
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 3704 nM DrugMatrix in vitro pharmacology data
NPT298 Individual Protein Neurokinin 2 receptor Homo sapiens IC50 = 17430 nM DrugMatrix in vitro pharmacology data
NPT298 Individual Protein Neurokinin 2 receptor Homo sapiens Ki = 5810 nM DrugMatrix in vitro pharmacology data
NPT300 Individual Protein Thromboxane-A synthase Homo sapiens IC50 = 66049 nM DrugMatrix in vitro pharmacology data
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 37207.9 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 42163.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 37578 nM PubChem BioAssay data set
NPT159 Individual Protein Aberrant vpr protein Human immunodeficiency virus 1 Potency 63095.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12995.3 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19331.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19610.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8759.8 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 11027.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21822.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9747.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21689.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62014.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1102.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68982 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3487.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 56234.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54794.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4885.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61503.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43903 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 62014.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1544.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27472.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34873.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1748 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 66824.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49259.9 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 27700.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2200.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3108.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6150.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24485.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9828.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12271.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21822.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 48835.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55270.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24688.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15449 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19449.2 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 17480.2 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 19610.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1412.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12373.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22003.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7742.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48854.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 19952.6 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 NPC318325 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
1.0 High Similarity NPC242240
1.0 High Similarity NPC123273
0.9881 High Similarity NPC25493
0.9881 High Similarity NPC113460
0.9765 High Similarity NPC280347
0.9765 High Similarity NPC177420
0.9765 High Similarity NPC258219
0.9762 High Similarity NPC23167
0.9651 High Similarity NPC55561
0.9643 High Similarity NPC197783
0.9545 High Similarity NPC316301
0.9545 High Similarity NPC27323
0.954 High Similarity NPC304541
0.9529 High Similarity NPC184169
0.9524 High Similarity NPC248817
0.9524 High Similarity NPC175313
0.9438 High Similarity NPC26244
0.9405 High Similarity NPC265146
0.9405 High Similarity NPC124436
0.9333 High Similarity NPC473388
0.9326 High Similarity NPC151715
0.9318 High Similarity NPC45040
0.9318 High Similarity NPC155908
0.9318 High Similarity NPC204210
0.931 High Similarity NPC98772
0.9302 High Similarity NPC407
0.9302 High Similarity NPC307235
0.9231 High Similarity NPC77492
0.9231 High Similarity NPC225464
0.9222 High Similarity NPC8392
0.9213 High Similarity NPC3358
0.9213 High Similarity NPC210497
0.9213 High Similarity NPC138117
0.9213 High Similarity NPC325292
0.9213 High Similarity NPC306884
0.9213 High Similarity NPC162314
0.9213 High Similarity NPC147284
0.9213 High Similarity NPC94139
0.9205 High Similarity NPC300017
0.9205 High Similarity NPC192
0.9195 High Similarity NPC27974
0.9186 High Similarity NPC155393
0.913 High Similarity NPC122005
0.913 High Similarity NPC252821
0.913 High Similarity NPC92730
0.913 High Similarity NPC128723
0.9111 High Similarity NPC152415
0.9111 High Similarity NPC128062
0.9101 High Similarity NPC306074
0.9101 High Similarity NPC270547
0.9091 High Similarity NPC70436
0.907 High Similarity NPC286904
0.9032 High Similarity NPC225506
0.9011 High Similarity NPC313650
0.9011 High Similarity NPC274678
0.9011 High Similarity NPC144682
0.9 High Similarity NPC55903
0.8977 High Similarity NPC104216
0.8925 High Similarity NPC51333
0.8925 High Similarity NPC78119
0.8925 High Similarity NPC216468
0.8925 High Similarity NPC132078
0.8913 High Similarity NPC132271
0.8913 High Similarity NPC82664
0.8913 High Similarity NPC292730
0.8913 High Similarity NPC216520
0.8901 High Similarity NPC289769
0.8901 High Similarity NPC76938
0.8851 High Similarity NPC150837
0.883 High Similarity NPC213730
0.883 High Similarity NPC211885
0.8817 High Similarity NPC6597
0.8817 High Similarity NPC260000
0.8817 High Similarity NPC474073
0.8817 High Similarity NPC79241
0.8804 High Similarity NPC222146
0.8804 High Similarity NPC32714
0.8791 High Similarity NPC271440
0.8791 High Similarity NPC181709
0.8778 High Similarity NPC300478
0.8764 High Similarity NPC19680
0.8737 High Similarity NPC40258
0.8737 High Similarity NPC7686
0.8737 High Similarity NPC91461
0.8723 High Similarity NPC80027
0.8723 High Similarity NPC299762
0.8723 High Similarity NPC33675
0.8723 High Similarity NPC280869
0.871 High Similarity NPC312132
0.871 High Similarity NPC259512
0.871 High Similarity NPC202986
0.8696 High Similarity NPC245187
0.8681 High Similarity NPC231150
0.866 High Similarity NPC154899
0.866 High Similarity NPC138942
0.866 High Similarity NPC233396
0.866 High Similarity NPC303141
0.8646 High Similarity NPC196479
0.8646 High Similarity NPC168829
0.8632 High Similarity NPC248396
0.8632 High Similarity NPC48730
0.8632 High Similarity NPC129373
0.8632 High Similarity NPC72729
0.8617 High Similarity NPC32674
0.8617 High Similarity NPC107619
0.8617 High Similarity NPC152097
0.8617 High Similarity NPC109955
0.8571 High Similarity NPC271274
0.8571 High Similarity NPC113457
0.8571 High Similarity NPC135464
0.8571 High Similarity NPC477814
0.8571 High Similarity NPC92623
0.8557 High Similarity NPC120719
0.8557 High Similarity NPC8931
0.8557 High Similarity NPC119860
0.8557 High Similarity NPC120693
0.8557 High Similarity NPC261573
0.8557 High Similarity NPC288411
0.8542 High Similarity NPC471578
0.8542 High Similarity NPC101025
0.8542 High Similarity NPC252105
0.8542 High Similarity NPC472585
0.8526 High Similarity NPC245561
0.8526 High Similarity NPC260775
0.8495 Intermediate Similarity NPC81010
0.8495 Intermediate Similarity NPC32977
0.8488 Intermediate Similarity NPC133050
0.8485 Intermediate Similarity NPC228737
0.8469 Intermediate Similarity NPC474839
0.8469 Intermediate Similarity NPC243677
0.8454 Intermediate Similarity NPC235762
0.8454 Intermediate Similarity NPC313030
0.8454 Intermediate Similarity NPC471228
0.8454 Intermediate Similarity NPC106396
0.8454 Intermediate Similarity NPC71002
0.8454 Intermediate Similarity NPC62351
0.8454 Intermediate Similarity NPC108497
0.8454 Intermediate Similarity NPC242342
0.8454 Intermediate Similarity NPC222522
0.8454 Intermediate Similarity NPC94351
0.8454 Intermediate Similarity NPC302219
0.8454 Intermediate Similarity NPC85479
0.8454 Intermediate Similarity NPC146798
0.8454 Intermediate Similarity NPC470202
0.8454 Intermediate Similarity NPC53051
0.8454 Intermediate Similarity NPC168303
0.8454 Intermediate Similarity NPC249828
0.8454 Intermediate Similarity NPC135784
0.8454 Intermediate Similarity NPC24404
0.8438 Intermediate Similarity NPC289381
0.8438 Intermediate Similarity NPC10588
0.8438 Intermediate Similarity NPC130756
0.8438 Intermediate Similarity NPC174911
0.8438 Intermediate Similarity NPC294741
0.8438 Intermediate Similarity NPC12931
0.8438 Intermediate Similarity NPC52472
0.8438 Intermediate Similarity NPC166761
0.8438 Intermediate Similarity NPC155847
0.8438 Intermediate Similarity NPC70677
0.8421 Intermediate Similarity NPC201967
0.8421 Intermediate Similarity NPC475078
0.8409 Intermediate Similarity NPC304538
0.8404 Intermediate Similarity NPC286006
0.8404 Intermediate Similarity NPC107522
0.84 Intermediate Similarity NPC75440
0.84 Intermediate Similarity NPC61885
0.84 Intermediate Similarity NPC317305
0.84 Intermediate Similarity NPC63698
0.84 Intermediate Similarity NPC11554
0.8387 Intermediate Similarity NPC29373
0.8384 Intermediate Similarity NPC188677
0.8384 Intermediate Similarity NPC21594
0.837 Intermediate Similarity NPC151764
0.837 Intermediate Similarity NPC47950
0.837 Intermediate Similarity NPC312304
0.8367 Intermediate Similarity NPC254965
0.8367 Intermediate Similarity NPC471511
0.8367 Intermediate Similarity NPC327811
0.8367 Intermediate Similarity NPC30506
0.8367 Intermediate Similarity NPC475225
0.8351 Intermediate Similarity NPC110764
0.8351 Intermediate Similarity NPC72947
0.8351 Intermediate Similarity NPC137415
0.8351 Intermediate Similarity NPC166313
0.8351 Intermediate Similarity NPC147310
0.8351 Intermediate Similarity NPC284011
0.8351 Intermediate Similarity NPC294186
0.8351 Intermediate Similarity NPC24407
0.8351 Intermediate Similarity NPC11280
0.8351 Intermediate Similarity NPC477685
0.8351 Intermediate Similarity NPC51015
0.8351 Intermediate Similarity NPC192032
0.8333 Intermediate Similarity NPC130193
0.8333 Intermediate Similarity NPC100870
0.8333 Intermediate Similarity NPC171843
0.8333 Intermediate Similarity NPC125732
0.8317 Intermediate Similarity NPC75272
0.8317 Intermediate Similarity NPC471954
0.8317 Intermediate Similarity NPC254833
0.8317 Intermediate Similarity NPC95172

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318325 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
0.9545 High Similarity NPD1432 Clinical (unspecified phase)
0.9438 High Similarity NPD2860 Approved
0.9438 High Similarity NPD2859 Approved
0.9405 High Similarity NPD111 Approved
0.9326 High Similarity NPD2933 Approved
0.9326 High Similarity NPD2934 Approved
0.913 High Similarity NPD3020 Approved
0.9011 High Similarity NPD844 Approved
0.9011 High Similarity NPD1809 Phase 2
0.9 High Similarity NPD845 Approved
0.8936 High Similarity NPD940 Approved
0.8936 High Similarity NPD846 Approved
0.871 High Similarity NPD288 Approved
0.8438 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.8367 Intermediate Similarity NPD9608 Approved
0.8367 Intermediate Similarity NPD9610 Approved
0.8317 Intermediate Similarity NPD3022 Approved
0.8317 Intermediate Similarity NPD3021 Approved
0.82 Intermediate Similarity NPD1445 Approved
0.82 Intermediate Similarity NPD1444 Approved
0.8095 Intermediate Similarity NPD9087 Approved
0.8061 Intermediate Similarity NPD1242 Phase 1
0.8061 Intermediate Similarity NPD3028 Approved
0.8 Intermediate Similarity NPD2228 Approved
0.8 Intermediate Similarity NPD2234 Approved
0.8 Intermediate Similarity NPD2229 Approved
0.7961 Intermediate Similarity NPD1792 Phase 2
0.7864 Intermediate Similarity NPD2684 Approved
0.7816 Intermediate Similarity NPD9294 Approved
0.781 Intermediate Similarity NPD228 Approved
0.781 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD4750 Phase 3
0.7727 Intermediate Similarity NPD9088 Approved
0.7723 Intermediate Similarity NPD9500 Approved
0.7685 Intermediate Similarity NPD255 Approved
0.7685 Intermediate Similarity NPD256 Approved
0.7677 Intermediate Similarity NPD9273 Approved
0.7664 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD5303 Approved
0.7636 Intermediate Similarity NPD5304 Approved
0.7636 Intermediate Similarity NPD3091 Approved
0.7596 Intermediate Similarity NPD2342 Discontinued
0.7593 Intermediate Similarity NPD1793 Approved
0.7593 Intermediate Similarity NPD1791 Approved
0.757 Intermediate Similarity NPD821 Approved
0.757 Intermediate Similarity NPD9379 Approved
0.757 Intermediate Similarity NPD7843 Approved
0.757 Intermediate Similarity NPD9377 Approved
0.757 Intermediate Similarity NPD7635 Approved
0.7568 Intermediate Similarity NPD4093 Discontinued
0.7545 Intermediate Similarity NPD16 Approved
0.7545 Intermediate Similarity NPD856 Approved
0.7523 Intermediate Similarity NPD6671 Approved
0.75 Intermediate Similarity NPD1751 Approved
0.75 Intermediate Similarity NPD4589 Approved
0.75 Intermediate Similarity NPD3019 Approved
0.75 Intermediate Similarity NPD4059 Approved
0.75 Intermediate Similarity NPD968 Approved
0.75 Intermediate Similarity NPD2932 Approved
0.75 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD5451 Approved
0.7431 Intermediate Similarity NPD475 Phase 2
0.7429 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD9089 Approved
0.7387 Intermediate Similarity NPD317 Approved
0.7387 Intermediate Similarity NPD318 Approved
0.7368 Intermediate Similarity NPD3092 Approved
0.7364 Intermediate Similarity NPD7157 Approved
0.7297 Intermediate Similarity NPD9568 Approved
0.7283 Intermediate Similarity NPD9093 Approved
0.7273 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD9614 Approved
0.7273 Intermediate Similarity NPD9618 Approved
0.7264 Intermediate Similarity NPD290 Approved
0.7257 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD4235 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5535 Approved
0.7241 Intermediate Similarity NPD6582 Phase 2
0.7241 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4659 Approved
0.7241 Intermediate Similarity NPD6583 Phase 3
0.7222 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD9295 Approved
0.7193 Intermediate Similarity NPD4626 Approved
0.7193 Intermediate Similarity NPD3095 Discontinued
0.7193 Intermediate Similarity NPD2668 Approved
0.7193 Intermediate Similarity NPD2286 Discontinued
0.7193 Intermediate Similarity NPD2667 Approved
0.7182 Intermediate Similarity NPD5283 Phase 1
0.717 Intermediate Similarity NPD3134 Approved
0.7168 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD1548 Phase 1
0.7168 Intermediate Similarity NPD9545 Approved
0.7158 Intermediate Similarity NPD9073 Approved
0.7155 Intermediate Similarity NPD2562 Approved
0.7155 Intermediate Similarity NPD2561 Approved
0.713 Intermediate Similarity NPD3421 Phase 3
0.713 Intermediate Similarity NPD2688 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD3143 Discontinued
0.713 Intermediate Similarity NPD3847 Discontinued
0.7119 Intermediate Similarity NPD1134 Approved
0.7119 Intermediate Similarity NPD1133 Approved
0.7119 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD1129 Approved
0.7119 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD1131 Approved
0.7119 Intermediate Similarity NPD1135 Approved
0.7119 Intermediate Similarity NPD3094 Phase 2
0.7119 Intermediate Similarity NPD4103 Phase 2
0.7115 Intermediate Similarity NPD4818 Approved
0.7115 Intermediate Similarity NPD4817 Approved
0.7103 Intermediate Similarity NPD1358 Approved
0.708 Intermediate Similarity NPD9613 Approved
0.708 Intermediate Similarity NPD9616 Approved
0.708 Intermediate Similarity NPD9615 Approved
0.7069 Intermediate Similarity NPD1610 Phase 2
0.7069 Intermediate Similarity NPD422 Phase 1
0.7069 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2195 Approved
0.7059 Intermediate Similarity NPD2194 Approved
0.7059 Intermediate Similarity NPD6584 Phase 3
0.7048 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD9381 Approved
0.7043 Intermediate Similarity NPD9384 Approved
0.7037 Intermediate Similarity NPD9266 Approved
0.7037 Intermediate Similarity NPD74 Approved
0.7019 Intermediate Similarity NPD1616 Discontinued
0.7018 Intermediate Similarity NPD7330 Discontinued
0.7018 Intermediate Similarity NPD316 Approved
0.7018 Intermediate Similarity NPD1759 Phase 1
0.7009 Intermediate Similarity NPD3070 Discontinued
0.7 Intermediate Similarity NPD5736 Approved
0.7 Intermediate Similarity NPD159 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3637 Approved
0.7 Intermediate Similarity NPD3635 Approved
0.7 Intermediate Similarity NPD3636 Approved
0.6991 Remote Similarity NPD3596 Phase 2
0.6991 Remote Similarity NPD9493 Approved
0.6991 Remote Similarity NPD7325 Clinical (unspecified phase)
0.699 Remote Similarity NPD9611 Approved
0.699 Remote Similarity NPD9609 Approved
0.699 Remote Similarity NPD9612 Approved
0.6975 Remote Similarity NPD3053 Approved
0.6975 Remote Similarity NPD3055 Approved
0.6957 Remote Similarity NPD1357 Approved
0.6952 Remote Similarity NPD855 Approved
0.6952 Remote Similarity NPD854 Approved
0.6949 Remote Similarity NPD1755 Approved
0.6949 Remote Similarity NPD3685 Discontinued
0.6949 Remote Similarity NPD9622 Approved
0.6944 Remote Similarity NPD9267 Approved
0.6944 Remote Similarity NPD9264 Approved
0.6944 Remote Similarity NPD9263 Approved
0.6942 Remote Similarity NPD2606 Approved
0.6942 Remote Similarity NPD4908 Phase 1
0.6942 Remote Similarity NPD2605 Approved
0.6939 Remote Similarity NPD1101 Approved
0.6939 Remote Similarity NPD9094 Approved
0.6937 Remote Similarity NPD1138 Approved
0.693 Remote Similarity NPD1758 Phase 1
0.6923 Remote Similarity NPD1535 Discovery
0.6917 Remote Similarity NPD7451 Discontinued
0.6917 Remote Similarity NPD257 Approved
0.6917 Remote Similarity NPD258 Approved
0.6897 Remote Similarity NPD6516 Phase 2
0.6897 Remote Similarity NPD5846 Approved
0.6891 Remote Similarity NPD5311 Approved
0.6891 Remote Similarity NPD5310 Approved
0.6891 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6887 Remote Similarity NPD4229 Approved
0.6887 Remote Similarity NPD4656 Approved
0.6887 Remote Similarity NPD3680 Approved
0.6887 Remote Similarity NPD4231 Approved
0.6887 Remote Similarity NPD4658 Approved
0.6887 Remote Similarity NPD3682 Approved
0.6887 Remote Similarity NPD3683 Approved
0.6887 Remote Similarity NPD3681 Approved
0.6885 Remote Similarity NPD5156 Approved
0.6885 Remote Similarity NPD3027 Phase 3
0.6885 Remote Similarity NPD5155 Approved
0.6875 Remote Similarity NPD1241 Discontinued
0.687 Remote Similarity NPD6580 Approved
0.687 Remote Similarity NPD6581 Approved
0.6869 Remote Similarity NPD800 Approved
0.6864 Remote Similarity NPD2232 Approved
0.6864 Remote Similarity NPD2230 Approved
0.6864 Remote Similarity NPD1481 Phase 2
0.6864 Remote Similarity NPD2233 Approved
0.6863 Remote Similarity NPD9296 Approved
0.686 Remote Similarity NPD2861 Phase 2
0.6847 Remote Similarity NPD1139 Approved
0.6847 Remote Similarity NPD1137 Approved
0.6842 Remote Similarity NPD7636 Approved
0.6842 Remote Similarity NPD405 Clinical (unspecified phase)
0.6838 Remote Similarity NPD3023 Approved
0.6838 Remote Similarity NPD3026 Approved
0.6833 Remote Similarity NPD1164 Approved
0.6829 Remote Similarity NPD4907 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   15730
ChEMBL   CHEMBL195437
ZINC  

Physicochemical Properties

Molecular Weight:  206.17
ALogP:  -2.0746
MLogP:  2.89
XLogP:  6.35
# Rotatable Bonds:  9
Polar Surface Area:  20.23
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  15

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Biological Activities  
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