Natural Product: NPC124436

Natural Product ID:  NPC124436
Common Name:   P-Cresol
IUPAC Name:   4-methylphenol
Synonyms:   4-Methylphenol; p-cresol; para-cresol
Molecular Formula:   C7H8O
Standard InCHIKey:  IWDCLRJOBJJRNH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
Canonical SMILES:  Cc1ccc(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
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[20669995]
NPO28679 Prunus mume Species Rosaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[11325895]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[8087979]
NPO13965 Chamaecyparis formosensis Species Cupressaceae Eukaryota TCMID*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO8516 Dipsacus asperoides Species Caprifoliaceae Eukaryota TCMID*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota HerDing*
NPO28265 Morus alba Species Moraceae Eukaryota TCMID*
NPO28265 Morus alba Species Moraceae Eukaryota HerDing*
NPO26343 Fagopyrum esculentum Species Polygonaceae Eukaryota TCMID*
NPO31505 Morus sp Species Sulidae Eukaryota HerDing*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCMID*
NPO31579 Artemisia capillaries Species Asteraceae Eukaryota TCM_Taiwan*
NPO7730 Commiphora myrrha Species Burseraceae Eukaryota TCMID*
NPO4626 Pimpinella anisum Species Apiaceae Eukaryota HerDing*
NPO4626 Pimpinella anisum Species Apiaceae Eukaryota TCMID*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TCMID*
NPO7730 Commiphora myrrha Species Burseraceae Eukaryota HerDing*
NPO2578 Morus sp. Species Sulidae Eukaryota TCMID*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TCM_Taiwan*
NPO8516 Dipsacus asperoides Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO8516 Dipsacus asperoides Species Caprifoliaceae Eukaryota HerDing*
NPO29562 Mume flos NA NA NA TCMSP*
NPO29663 Junci medulla NA NA NA TCMSP*
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO10477 Bomboo juice NA NA NA TCMSP*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO9121 Mori follum NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota HerDing*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO13965 Chamaecyparis formosensis Species Cupressaceae Eukaryota HerDing*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota HerDing*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1817 Individual Protein Aryl sulfotransferase Rattus norvegicus Ratio = 1080 12459019
NPT79 Organism Bacillus subtilis Bacillus subtilis IC50 = 3640000 nM 6802973
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 4900 nM 1738151
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 1.82 nM 1738151
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 290000 nM 15546710
NPT1 Others Radical scavenging activity IC50 = 290000 nM 16686532
NPT137 Cell Line L1210 Mus musculus Activity < 15 % 16279782
NPT2 Others Unspecified Potency = 251.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 10 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 200 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 29 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 150 pm/min/mg 10836148
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 47307.9 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 94391.8 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 10590.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 920 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 101.1 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 114.99 % 23571415
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17896.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14960.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6682.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25511.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13800.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21463.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18833.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10590.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 707.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 958.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2273.7 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 33330 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38895.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 40000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2238.7 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 NPC124436 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
0.9875 High Similarity NPC248817
0.9753 High Similarity NPC197783
0.975 High Similarity NPC265146
0.9634 High Similarity NPC23167
0.9634 High Similarity NPC184169
0.963 High Similarity NPC175313
0.9518 High Similarity NPC113460
0.9518 High Similarity NPC25493
0.9405 High Similarity NPC123273
0.9405 High Similarity NPC242240
0.9405 High Similarity NPC280347
0.9405 High Similarity NPC177420
0.9405 High Similarity NPC98772
0.9405 High Similarity NPC258219
0.9405 High Similarity NPC318325
0.939 High Similarity NPC286904
0.939 High Similarity NPC150837
0.9294 High Similarity NPC55561
0.9286 High Similarity NPC104216
0.9186 High Similarity NPC155908
0.9186 High Similarity NPC204210
0.9186 High Similarity NPC304541
0.9186 High Similarity NPC270547
0.9167 High Similarity NPC307235
0.9167 High Similarity NPC407
0.908 High Similarity NPC325292
0.908 High Similarity NPC138117
0.908 High Similarity NPC181709
0.907 High Similarity NPC300017
0.907 High Similarity NPC300478
0.9059 High Similarity NPC27974
0.9048 High Similarity NPC155393
0.8977 High Similarity NPC316301
0.8977 High Similarity NPC27323
0.8966 High Similarity NPC45040
0.8953 High Similarity NPC70436
0.8876 High Similarity NPC107522
0.8876 High Similarity NPC26244
0.8876 High Similarity NPC313650
0.8876 High Similarity NPC8392
0.8851 High Similarity NPC151764
0.8837 High Similarity NPC19680
0.8778 High Similarity NPC473388
0.8764 High Similarity NPC128062
0.8764 High Similarity NPC32977
0.8764 High Similarity NPC151715
0.8764 High Similarity NPC81010
0.875 High Similarity NPC306074
0.875 High Similarity NPC231150
0.8681 High Similarity NPC260000
0.8681 High Similarity NPC225464
0.8681 High Similarity NPC77492
0.8667 High Similarity NPC286006
0.8667 High Similarity NPC274678
0.8652 High Similarity NPC210497
0.8652 High Similarity NPC29373
0.8652 High Similarity NPC3358
0.8652 High Similarity NPC94139
0.8652 High Similarity NPC147284
0.8652 High Similarity NPC55903
0.8652 High Similarity NPC306884
0.8652 High Similarity NPC162314
0.8636 High Similarity NPC312304
0.8636 High Similarity NPC47950
0.8636 High Similarity NPC192
0.8608 High Similarity NPC100980
0.8587 High Similarity NPC92730
0.8587 High Similarity NPC128723
0.8587 High Similarity NPC122005
0.8587 High Similarity NPC80027
0.8587 High Similarity NPC252821
0.8587 High Similarity NPC171843
0.8587 High Similarity NPC280869
0.8571 High Similarity NPC82664
0.8571 High Similarity NPC202986
0.8571 High Similarity NPC216520
0.8571 High Similarity NPC132271
0.8571 High Similarity NPC292730
0.8556 High Similarity NPC152415
0.8556 High Similarity NPC245187
0.8495 Intermediate Similarity NPC225506
0.8495 Intermediate Similarity NPC155847
0.8495 Intermediate Similarity NPC253746
0.8495 Intermediate Similarity NPC289381
0.8478 Intermediate Similarity NPC107619
0.8478 Intermediate Similarity NPC32674
0.8478 Intermediate Similarity NPC201967
0.8478 Intermediate Similarity NPC109955
0.8462 Intermediate Similarity NPC144682
0.8444 Intermediate Similarity NPC295295
0.8444 Intermediate Similarity NPC271440
0.8404 Intermediate Similarity NPC101025
0.8404 Intermediate Similarity NPC471578
0.8404 Intermediate Similarity NPC472585
0.8387 Intermediate Similarity NPC245561
0.8387 Intermediate Similarity NPC131587
0.8387 Intermediate Similarity NPC130193
0.8387 Intermediate Similarity NPC125732
0.8387 Intermediate Similarity NPC132078
0.8387 Intermediate Similarity NPC51333
0.8387 Intermediate Similarity NPC216468
0.8387 Intermediate Similarity NPC275104
0.8387 Intermediate Similarity NPC78119
0.837 Intermediate Similarity NPC312132
0.837 Intermediate Similarity NPC259512
0.8352 Intermediate Similarity NPC289769
0.8352 Intermediate Similarity NPC76938
0.8316 Intermediate Similarity NPC196479
0.8316 Intermediate Similarity NPC62351
0.8316 Intermediate Similarity NPC304638
0.8316 Intermediate Similarity NPC178902
0.8315 Intermediate Similarity NPC8002
0.8315 Intermediate Similarity NPC99886
0.8315 Intermediate Similarity NPC259134
0.8315 Intermediate Similarity NPC177844
0.8298 Intermediate Similarity NPC29601
0.8298 Intermediate Similarity NPC161571
0.8298 Intermediate Similarity NPC223393
0.8298 Intermediate Similarity NPC248573
0.8298 Intermediate Similarity NPC211885
0.8298 Intermediate Similarity NPC213730
0.8298 Intermediate Similarity NPC275053
0.8298 Intermediate Similarity NPC52472
0.828 Intermediate Similarity NPC79241
0.828 Intermediate Similarity NPC152097
0.828 Intermediate Similarity NPC475078
0.828 Intermediate Similarity NPC474073
0.828 Intermediate Similarity NPC6597
0.8261 Intermediate Similarity NPC32714
0.8261 Intermediate Similarity NPC222146
0.8261 Intermediate Similarity NPC257182
0.8261 Intermediate Similarity NPC246679
0.8229 Intermediate Similarity NPC79672
0.8229 Intermediate Similarity NPC52087
0.8229 Intermediate Similarity NPC120719
0.8229 Intermediate Similarity NPC474603
0.8229 Intermediate Similarity NPC12987
0.8222 Intermediate Similarity NPC71853
0.8211 Intermediate Similarity NPC40258
0.8211 Intermediate Similarity NPC7686
0.8211 Intermediate Similarity NPC110764
0.8211 Intermediate Similarity NPC91461
0.8193 Intermediate Similarity NPC65517
0.8191 Intermediate Similarity NPC33675
0.8191 Intermediate Similarity NPC299762
0.8191 Intermediate Similarity NPC260775
0.8191 Intermediate Similarity NPC100870
0.8172 Intermediate Similarity NPC283711
0.8144 Intermediate Similarity NPC233396
0.8144 Intermediate Similarity NPC127676
0.8144 Intermediate Similarity NPC303141
0.8144 Intermediate Similarity NPC138942
0.8144 Intermediate Similarity NPC154899
0.8132 Intermediate Similarity NPC321956
0.8125 Intermediate Similarity NPC135784
0.8125 Intermediate Similarity NPC470202
0.8125 Intermediate Similarity NPC305205
0.8125 Intermediate Similarity NPC168829
0.8125 Intermediate Similarity NPC68269
0.8118 Intermediate Similarity NPC133050
0.8105 Intermediate Similarity NPC72729
0.8105 Intermediate Similarity NPC129373
0.8105 Intermediate Similarity NPC130756
0.8105 Intermediate Similarity NPC166761
0.8105 Intermediate Similarity NPC12931
0.8105 Intermediate Similarity NPC174911
0.8105 Intermediate Similarity NPC248396
0.8105 Intermediate Similarity NPC48730
0.8105 Intermediate Similarity NPC70677
0.8085 Intermediate Similarity NPC88420
0.8085 Intermediate Similarity NPC156313
0.8085 Intermediate Similarity NPC291789
0.8085 Intermediate Similarity NPC140619
0.8072 Intermediate Similarity NPC66655
0.8061 Intermediate Similarity NPC477814
0.8061 Intermediate Similarity NPC6984
0.8061 Intermediate Similarity NPC135464
0.8061 Intermediate Similarity NPC113457
0.8061 Intermediate Similarity NPC92623
0.8061 Intermediate Similarity NPC271274
0.8061 Intermediate Similarity NPC231705
0.8041 Intermediate Similarity NPC12278
0.8041 Intermediate Similarity NPC254965
0.8041 Intermediate Similarity NPC8931
0.8041 Intermediate Similarity NPC288411
0.8041 Intermediate Similarity NPC30506
0.8041 Intermediate Similarity NPC119860
0.8041 Intermediate Similarity NPC261573
0.8041 Intermediate Similarity NPC120693
0.8041 Intermediate Similarity NPC471511
0.8041 Intermediate Similarity NPC327811
0.8023 Intermediate Similarity NPC103326
0.8023 Intermediate Similarity NPC87299
0.8023 Intermediate Similarity NPC329319
0.8023 Intermediate Similarity NPC99394
0.8021 Intermediate Similarity NPC80800
0.8021 Intermediate Similarity NPC94343
0.8021 Intermediate Similarity NPC51633
0.8021 Intermediate Similarity NPC252105
0.798 Intermediate Similarity NPC226699

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC124436 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
1.0 High Similarity NPD111 Approved
0.8977 High Similarity NPD2934 Approved
0.8977 High Similarity NPD2933 Approved
0.8977 High Similarity NPD1432 Clinical (unspecified phase)
0.8876 High Similarity NPD2860 Approved
0.8876 High Similarity NPD2859 Approved
0.8608 High Similarity NPD9087 Approved
0.8587 High Similarity NPD3020 Approved
0.8462 Intermediate Similarity NPD1809 Phase 2
0.8462 Intermediate Similarity NPD844 Approved
0.8444 Intermediate Similarity NPD845 Approved
0.8404 Intermediate Similarity NPD846 Approved
0.8404 Intermediate Similarity NPD940 Approved
0.837 Intermediate Similarity NPD288 Approved
0.8298 Intermediate Similarity NPD1242 Phase 1
0.8229 Intermediate Similarity NPD9608 Approved
0.8229 Intermediate Similarity NPD9610 Approved
0.8193 Intermediate Similarity NPD9088 Approved
0.8105 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD9294 Approved
0.7895 Intermediate Similarity NPD9273 Approved
0.7822 Intermediate Similarity NPD3022 Approved
0.7822 Intermediate Similarity NPD3021 Approved
0.7816 Intermediate Similarity NPD9089 Approved
0.7755 Intermediate Similarity NPD9500 Approved
0.7732 Intermediate Similarity NPD3028 Approved
0.7701 Intermediate Similarity NPD9093 Approved
0.77 Intermediate Similarity NPD1444 Approved
0.77 Intermediate Similarity NPD1445 Approved
0.767 Intermediate Similarity NPD228 Approved
0.7647 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD9295 Approved
0.7556 Intermediate Similarity NPD9073 Approved
0.7525 Intermediate Similarity NPD968 Approved
0.7524 Intermediate Similarity NPD2229 Approved
0.7524 Intermediate Similarity NPD2234 Approved
0.7524 Intermediate Similarity NPD2228 Approved
0.7476 Intermediate Similarity NPD1792 Phase 2
0.7429 Intermediate Similarity NPD9379 Approved
0.7429 Intermediate Similarity NPD9377 Approved
0.7404 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD255 Approved
0.7383 Intermediate Similarity NPD256 Approved
0.7379 Intermediate Similarity NPD2684 Approved
0.7333 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD9094 Approved
0.7308 Intermediate Similarity NPD4750 Phase 3
0.7282 Intermediate Similarity NPD2342 Discontinued
0.7282 Intermediate Similarity NPD290 Approved
0.7264 Intermediate Similarity NPD821 Approved
0.7248 Intermediate Similarity NPD317 Approved
0.7248 Intermediate Similarity NPD856 Approved
0.7248 Intermediate Similarity NPD16 Approved
0.7248 Intermediate Similarity NPD318 Approved
0.7216 Intermediate Similarity NPD9296 Approved
0.7212 Intermediate Similarity NPD74 Approved
0.7212 Intermediate Similarity NPD9266 Approved
0.7196 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3134 Approved
0.7182 Intermediate Similarity NPD9545 Approved
0.7182 Intermediate Similarity NPD3091 Approved
0.7182 Intermediate Similarity NPD5303 Approved
0.7182 Intermediate Similarity NPD5304 Approved
0.7157 Intermediate Similarity NPD9244 Approved
0.7156 Intermediate Similarity NPD9568 Approved
0.713 Intermediate Similarity NPD9614 Approved
0.713 Intermediate Similarity NPD1793 Approved
0.713 Intermediate Similarity NPD1791 Approved
0.713 Intermediate Similarity NPD9618 Approved
0.713 Intermediate Similarity NPD475 Phase 2
0.7117 Intermediate Similarity NPD4093 Discontinued
0.7115 Intermediate Similarity NPD9263 Approved
0.7115 Intermediate Similarity NPD1358 Approved
0.7115 Intermediate Similarity NPD9267 Approved
0.7115 Intermediate Similarity NPD9264 Approved
0.7103 Intermediate Similarity NPD7843 Approved
0.7103 Intermediate Similarity NPD7635 Approved
0.7064 Intermediate Similarity NPD6671 Approved
0.7054 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD3019 Approved
0.7054 Intermediate Similarity NPD4589 Approved
0.7054 Intermediate Similarity NPD2932 Approved
0.7054 Intermediate Similarity NPD1751 Approved
0.7054 Intermediate Similarity NPD4059 Approved
0.7027 Intermediate Similarity NPD1548 Phase 1
0.7 Intermediate Similarity NPD9493 Approved
0.6991 Remote Similarity NPD3421 Phase 3
0.6981 Remote Similarity NPD5451 Approved
0.6972 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6964 Remote Similarity NPD1357 Approved
0.6937 Remote Similarity NPD9616 Approved
0.6937 Remote Similarity NPD9615 Approved
0.6937 Remote Similarity NPD9613 Approved
0.693 Remote Similarity NPD422 Phase 1
0.693 Remote Similarity NPD3092 Approved
0.6923 Remote Similarity NPD9250 Approved
0.6909 Remote Similarity NPD7157 Approved
0.6903 Remote Similarity NPD9384 Approved
0.6903 Remote Similarity NPD9381 Approved
0.6903 Remote Similarity NPD2286 Discontinued
0.6875 Remote Similarity NPD316 Approved
0.6875 Remote Similarity NPD2226 Clinical (unspecified phase)
0.687 Remote Similarity NPD2562 Approved
0.687 Remote Similarity NPD2561 Approved
0.6837 Remote Similarity NPD159 Clinical (unspecified phase)
0.6832 Remote Similarity NPD9611 Approved
0.6832 Remote Similarity NPD9609 Approved
0.6832 Remote Similarity NPD9612 Approved
0.6814 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6814 Remote Similarity NPD4196 Clinical (unspecified phase)
0.681 Remote Similarity NPD9622 Approved
0.681 Remote Similarity NPD3600 Clinical (unspecified phase)
0.681 Remote Similarity NPD4379 Clinical (unspecified phase)
0.681 Remote Similarity NPD6582 Phase 2
0.681 Remote Similarity NPD6583 Phase 3
0.681 Remote Similarity NPD4659 Approved
0.6804 Remote Similarity NPD9256 Approved
0.6804 Remote Similarity NPD9258 Approved
0.6789 Remote Similarity NPD5535 Approved
0.6783 Remote Similarity NPD1535 Discovery
0.6783 Remote Similarity NPD1610 Phase 2
0.6754 Remote Similarity NPD3095 Discontinued
0.6754 Remote Similarity NPD2667 Approved
0.6754 Remote Similarity NPD4626 Approved
0.6754 Remote Similarity NPD2668 Approved
0.6752 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6735 Remote Similarity NPD9365 Approved
0.6731 Remote Similarity NPD9261 Approved
0.6727 Remote Similarity NPD1241 Discontinued
0.6727 Remote Similarity NPD5283 Phase 1
0.6726 Remote Similarity NPD1759 Phase 1
0.6724 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6724 Remote Similarity NPD1481 Phase 2
0.6699 Remote Similarity NPD1616 Discontinued
0.6696 Remote Similarity NPD3847 Discontinued
0.6696 Remote Similarity NPD2688 Clinical (unspecified phase)
0.6696 Remote Similarity NPD3143 Discontinued
0.6696 Remote Similarity NPD1671 Clinical (unspecified phase)
0.6696 Remote Similarity NPD405 Clinical (unspecified phase)
0.6695 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6695 Remote Similarity NPD1133 Approved
0.6695 Remote Similarity NPD1134 Approved
0.6695 Remote Similarity NPD1135 Approved
0.6695 Remote Similarity NPD1131 Approved
0.6695 Remote Similarity NPD1129 Approved
0.6695 Remote Similarity NPD4103 Phase 2
0.6695 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6695 Remote Similarity NPD3053 Approved
0.6695 Remote Similarity NPD3055 Approved
0.6695 Remote Similarity NPD3094 Phase 2
0.6667 Remote Similarity NPD9281 Approved
0.6667 Remote Similarity NPD9097 Approved
0.6667 Remote Similarity NPD9495 Approved
0.6667 Remote Similarity NPD9251 Approved
0.6667 Remote Similarity NPD68 Approved
0.6667 Remote Similarity NPD9096 Approved
0.6667 Remote Similarity NPD9095 Approved
0.6639 Remote Similarity NPD258 Approved
0.6639 Remote Similarity NPD9619 Approved
0.6639 Remote Similarity NPD2194 Approved
0.6639 Remote Similarity NPD7451 Discontinued
0.6639 Remote Similarity NPD9620 Approved
0.6639 Remote Similarity NPD257 Approved
0.6639 Remote Similarity NPD9621 Approved
0.6639 Remote Similarity NPD2195 Approved
0.6639 Remote Similarity NPD6584 Phase 3
0.6638 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6638 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6637 Remote Similarity NPD1758 Phase 1
0.6635 Remote Similarity NPD4818 Approved
0.6635 Remote Similarity NPD855 Approved
0.6635 Remote Similarity NPD854 Approved
0.6635 Remote Similarity NPD4817 Approved
0.6629 Remote Similarity NPD9716 Approved
0.661 Remote Similarity NPD5311 Approved
0.661 Remote Similarity NPD5310 Approved
0.6607 Remote Similarity NPD709 Approved
0.6604 Remote Similarity NPD9697 Approved
0.6596 Remote Similarity NPD9491 Approved
0.6583 Remote Similarity NPD9494 Approved
0.6583 Remote Similarity NPD5736 Approved
0.6583 Remote Similarity NPD3636 Approved
0.6583 Remote Similarity NPD3635 Approved
0.6583 Remote Similarity NPD3637 Approved
0.6581 Remote Similarity NPD3070 Discontinued
0.6579 Remote Similarity NPD7330 Discontinued
0.6579 Remote Similarity NPD1894 Discontinued
0.6571 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6555 Remote Similarity NPD1164 Approved
0.6552 Remote Similarity NPD1983 Approved
0.6552 Remote Similarity NPD1980 Approved
0.6552 Remote Similarity NPD1981 Approved
0.6549 Remote Similarity NPD3596 Phase 2
0.6549 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6529 Remote Similarity NPD4908 Phase 1
0.6529 Remote Similarity NPD2606 Approved
0.6529 Remote Similarity NPD2605 Approved
0.6525 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6525 Remote Similarity NPD3685 Discontinued

Structure

External Identifiers

PubChem CID   2879
ChEMBL   CHEMBL16645
ZINC  

Physicochemical Properties

Molecular Weight:  108.06
ALogP:  0.1817
MLogP:  2.12
XLogP:  2.367
# Rotatable Bonds:  2
Polar Surface Area:  20.23
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  8

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