Natural Product: NPC318429

Natural Product ID:  NPC318429
Common Name:   2-Phenoxyethanol
IUPAC Name:   2-phenoxyethanol
Synonyms:   Phenoxyethanol
Molecular Formula:   C8H10O2
Standard InCHIKey:  QCDWFXQBSFUVSP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Canonical SMILES:  OCCOc1ccccc1
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 saliva PMID[24421258]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 32.3 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 54.3 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Inhibition = 25.1 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Inhibition = 42.3 % 19223628
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1412537.5 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1000000 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 0.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 80.9 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 1412537.5 nM PubChem BioAssay data set
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus Potency 56234.1 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76724.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15699.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13992.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 70127 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 89.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3427.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 397.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 562.3 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 NPC318429 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
0.9032 High Similarity NPC132725
0.9032 High Similarity NPC314803
0.8636 High Similarity NPC125306
0.8586 High Similarity NPC194034
0.8571 High Similarity NPC17537
0.8556 High Similarity NPC206876
0.8488 Intermediate Similarity NPC124576
0.8454 Intermediate Similarity NPC51633
0.8427 Intermediate Similarity NPC23837
0.8404 Intermediate Similarity NPC114325
0.8367 Intermediate Similarity NPC192596
0.8333 Intermediate Similarity NPC46844
0.83 Intermediate Similarity NPC41594
0.8283 Intermediate Similarity NPC108875
0.8283 Intermediate Similarity NPC38079
0.8261 Intermediate Similarity NPC157213
0.82 Intermediate Similarity NPC8302
0.82 Intermediate Similarity NPC470393
0.8173 Intermediate Similarity NPC115379
0.8095 Intermediate Similarity NPC301735
0.8077 Intermediate Similarity NPC55300
0.8061 Intermediate Similarity NPC307039
0.8061 Intermediate Similarity NPC100870
0.8019 Intermediate Similarity NPC142319
0.8 Intermediate Similarity NPC165646
0.7979 Intermediate Similarity NPC302546
0.7959 Intermediate Similarity NPC313918
0.7959 Intermediate Similarity NPC95755
0.7941 Intermediate Similarity NPC473653
0.7879 Intermediate Similarity NPC471576
0.7872 Intermediate Similarity NPC47422
0.787 Intermediate Similarity NPC154256
0.787 Intermediate Similarity NPC290470
0.7864 Intermediate Similarity NPC258171
0.7864 Intermediate Similarity NPC251306
0.7864 Intermediate Similarity NPC227894
0.7843 Intermediate Similarity NPC307875
0.7835 Intermediate Similarity NPC16649
0.7822 Intermediate Similarity NPC305205
0.7798 Intermediate Similarity NPC9248
0.7789 Intermediate Similarity NPC177844
0.7789 Intermediate Similarity NPC259134
0.7789 Intermediate Similarity NPC99886
0.7789 Intermediate Similarity NPC8002
0.7745 Intermediate Similarity NPC283546
0.7736 Intermediate Similarity NPC78918
0.7736 Intermediate Similarity NPC139617
0.7727 Intermediate Similarity NPC101503
0.7727 Intermediate Similarity NPC228907
0.7708 Intermediate Similarity NPC71853
0.767 Intermediate Similarity NPC128730
0.767 Intermediate Similarity NPC473855
0.7658 Intermediate Similarity NPC163036
0.7642 Intermediate Similarity NPC137685
0.7629 Intermediate Similarity NPC321956
0.7624 Intermediate Similarity NPC107101
0.7596 Intermediate Similarity NPC176971
0.7589 Intermediate Similarity NPC469708
0.7589 Intermediate Similarity NPC60589
0.757 Intermediate Similarity NPC266932
0.7549 Intermediate Similarity NPC310905
0.7549 Intermediate Similarity NPC12714
0.7549 Intermediate Similarity NPC307425
0.7547 Intermediate Similarity NPC7097
0.7547 Intermediate Similarity NPC36108
0.7547 Intermediate Similarity NPC233731
0.7547 Intermediate Similarity NPC246358
0.7524 Intermediate Similarity NPC151530
0.7524 Intermediate Similarity NPC124712
0.7524 Intermediate Similarity NPC157473
0.7523 Intermediate Similarity NPC161696
0.7523 Intermediate Similarity NPC235250
0.7522 Intermediate Similarity NPC198734
0.7522 Intermediate Similarity NPC269242
0.7522 Intermediate Similarity NPC469412
0.7522 Intermediate Similarity NPC473875
0.75 Intermediate Similarity NPC266116
0.7476 Intermediate Similarity NPC179686
0.7475 Intermediate Similarity NPC471581
0.7456 Intermediate Similarity NPC290451
0.7456 Intermediate Similarity NPC127389
0.7456 Intermediate Similarity NPC57751
0.7456 Intermediate Similarity NPC226712
0.7455 Intermediate Similarity NPC301321
0.7453 Intermediate Similarity NPC291837
0.7453 Intermediate Similarity NPC241549
0.7451 Intermediate Similarity NPC13755
0.7429 Intermediate Similarity NPC232654
0.7429 Intermediate Similarity NPC326801
0.7426 Intermediate Similarity NPC175298
0.7411 Intermediate Similarity NPC329980
0.7411 Intermediate Similarity NPC204617
0.7407 Intermediate Similarity NPC173746
0.7407 Intermediate Similarity NPC195873
0.7407 Intermediate Similarity NPC257124
0.7407 Intermediate Similarity NPC8547
0.7407 Intermediate Similarity NPC245552
0.7407 Intermediate Similarity NPC156840
0.7404 Intermediate Similarity NPC12987
0.7404 Intermediate Similarity NPC292792
0.7404 Intermediate Similarity NPC2518
0.7404 Intermediate Similarity NPC474603
0.7391 Intermediate Similarity NPC204932
0.7391 Intermediate Similarity NPC71090
0.7387 Intermediate Similarity NPC221049
0.7386 Intermediate Similarity NPC100980
0.7383 Intermediate Similarity NPC149545
0.7383 Intermediate Similarity NPC474272
0.7379 Intermediate Similarity NPC84325
0.7368 Intermediate Similarity NPC276195
0.7368 Intermediate Similarity NPC199023
0.7368 Intermediate Similarity NPC475529
0.7345 Intermediate Similarity NPC37858
0.7333 Intermediate Similarity NPC227255
0.7333 Intermediate Similarity NPC473393
0.7333 Intermediate Similarity NPC238115
0.7333 Intermediate Similarity NPC288760
0.7321 Intermediate Similarity NPC142042
0.7321 Intermediate Similarity NPC86947
0.7321 Intermediate Similarity NPC164386
0.732 Intermediate Similarity NPC104216
0.7315 Intermediate Similarity NPC25067
0.7315 Intermediate Similarity NPC95977
0.7315 Intermediate Similarity NPC88868
0.7315 Intermediate Similarity NPC231251
0.729 Intermediate Similarity NPC146530
0.7273 Intermediate Similarity NPC303522
0.7265 Intermediate Similarity NPC221090
0.7265 Intermediate Similarity NPC293701
0.7265 Intermediate Similarity NPC25817
0.7265 Intermediate Similarity NPC109822
0.7265 Intermediate Similarity NPC287429
0.7265 Intermediate Similarity NPC114901
0.7265 Intermediate Similarity NPC48990
0.7265 Intermediate Similarity NPC94276
0.7264 Intermediate Similarity NPC326447
0.7264 Intermediate Similarity NPC113457
0.7257 Intermediate Similarity NPC124916
0.7257 Intermediate Similarity NPC283616
0.7257 Intermediate Similarity NPC255675
0.7255 Intermediate Similarity NPC470161
0.7253 Intermediate Similarity NPC65517
0.7241 Intermediate Similarity NPC152722
0.7238 Intermediate Similarity NPC109637
0.7212 Intermediate Similarity NPC300166
0.7203 Intermediate Similarity NPC278552
0.7203 Intermediate Similarity NPC207179
0.7203 Intermediate Similarity NPC470510
0.7203 Intermediate Similarity NPC194519
0.7203 Intermediate Similarity NPC141739
0.7203 Intermediate Similarity NPC136112
0.7203 Intermediate Similarity NPC320242
0.7203 Intermediate Similarity NPC167571
0.7196 Intermediate Similarity NPC233320
0.7193 Intermediate Similarity NPC311595
0.7193 Intermediate Similarity NPC135961
0.7193 Intermediate Similarity NPC181969
0.7193 Intermediate Similarity NPC24474
0.7193 Intermediate Similarity NPC320987
0.7184 Intermediate Similarity NPC171843
0.7182 Intermediate Similarity NPC474920
0.7179 Intermediate Similarity NPC217854
0.7179 Intermediate Similarity NPC192810
0.7179 Intermediate Similarity NPC474130
0.7172 Intermediate Similarity NPC300017
0.717 Intermediate Similarity NPC475269
0.717 Intermediate Similarity NPC139891
0.7168 Intermediate Similarity NPC39793
0.7168 Intermediate Similarity NPC151617
0.7168 Intermediate Similarity NPC76915
0.7168 Intermediate Similarity NPC161768
0.7159 Intermediate Similarity NPC215445
0.7156 Intermediate Similarity NPC106141
0.7156 Intermediate Similarity NPC179309
0.7156 Intermediate Similarity NPC141068
0.7155 Intermediate Similarity NPC470804
0.7143 Intermediate Similarity NPC58607
0.7143 Intermediate Similarity NPC178284
0.7143 Intermediate Similarity NPC233559
0.7143 Intermediate Similarity NPC319933
0.7143 Intermediate Similarity NPC298845
0.7143 Intermediate Similarity NPC298224
0.7143 Intermediate Similarity NPC191037
0.7143 Intermediate Similarity NPC162294
0.713 Intermediate Similarity NPC148615
0.713 Intermediate Similarity NPC193193
0.713 Intermediate Similarity NPC229401
0.713 Intermediate Similarity NPC202474
0.713 Intermediate Similarity NPC177475
0.713 Intermediate Similarity NPC35071
0.713 Intermediate Similarity NPC201959
0.713 Intermediate Similarity NPC75440
0.7119 Intermediate Similarity NPC74478
0.7117 Intermediate Similarity NPC90903
0.7105 Intermediate Similarity NPC212743
0.7105 Intermediate Similarity NPC474040
0.7105 Intermediate Similarity NPC191194
0.7105 Intermediate Similarity NPC474214
0.7105 Intermediate Similarity NPC159916
0.7105 Intermediate Similarity NPC74821

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318429 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 NPD9365 Approved
0.9043 High Similarity NPD291 Approved
0.8854 High Similarity NPD9501 Approved
0.8586 High Similarity NPD9552 Approved
0.8586 High Similarity NPD290 Approved
0.85 High Similarity NPD2684 Approved
0.8416 Intermediate Similarity NPD556 Approved
0.8404 Intermediate Similarity NPD9296 Approved
0.8261 Intermediate Similarity NPD9295 Approved
0.8173 Intermediate Similarity NPD7843 Approved
0.7944 Intermediate Similarity NPD7157 Approved
0.7944 Intermediate Similarity NPD191 Approved
0.7941 Intermediate Similarity NPD968 Approved
0.7658 Intermediate Similarity NPD1797 Approved
0.7658 Intermediate Similarity NPD1798 Approved
0.7589 Intermediate Similarity NPD6516 Phase 2
0.7589 Intermediate Similarity NPD5846 Approved
0.7524 Intermediate Similarity NPD1358 Approved
0.75 Intermediate Similarity NPD769 Approved
0.75 Intermediate Similarity NPD821 Approved
0.7456 Intermediate Similarity NPD1091 Approved
0.7407 Intermediate Similarity NPD228 Approved
0.7386 Intermediate Similarity NPD9087 Approved
0.7358 Intermediate Similarity NPD9624 Approved
0.7358 Intermediate Similarity NPD5374 Approved
0.7358 Intermediate Similarity NPD5373 Approved
0.7315 Intermediate Similarity NPD2671 Approved
0.7315 Intermediate Similarity NPD2673 Approved
0.7264 Intermediate Similarity NPD3134 Approved
0.7253 Intermediate Similarity NPD9088 Approved
0.7203 Intermediate Similarity NPD1794 Approved
0.7203 Intermediate Similarity NPD1817 Approved
0.7203 Intermediate Similarity NPD1819 Approved
0.7203 Intermediate Similarity NPD1820 Approved
0.7203 Intermediate Similarity NPD1818 Approved
0.717 Intermediate Similarity NPD9697 Approved
0.7168 Intermediate Similarity NPD254 Approved
0.7168 Intermediate Similarity NPD1103 Approved
0.7168 Intermediate Similarity NPD1102 Approved
0.7168 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5647 Approved
0.7117 Intermediate Similarity NPD1241 Discontinued
0.7105 Intermediate Similarity NPD7533 Approved
0.7105 Intermediate Similarity NPD7534 Approved
0.7105 Intermediate Similarity NPD1548 Phase 1
0.7083 Intermediate Similarity NPD5266 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD2250 Discontinued
0.7059 Intermediate Similarity NPD3827 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD9299 Approved
0.7043 Intermediate Similarity NPD1357 Approved
0.7009 Intermediate Similarity NPD776 Approved
0.6991 Remote Similarity NPD6671 Approved
0.6983 Remote Similarity NPD1778 Approved
0.6975 Remote Similarity NPD8651 Approved
0.6967 Remote Similarity NPD3179 Approved
0.6967 Remote Similarity NPD3165 Approved
0.6967 Remote Similarity NPD3167 Approved
0.6967 Remote Similarity NPD3166 Approved
0.6967 Remote Similarity NPD3164 Approved
0.6967 Remote Similarity NPD3180 Approved
0.6957 Remote Similarity NPD1182 Approved
0.6957 Remote Similarity NPD1894 Discontinued
0.6949 Remote Similarity NPD2235 Phase 2
0.6949 Remote Similarity NPD2231 Phase 2
0.6947 Remote Similarity NPD9089 Approved
0.6923 Remote Similarity NPD155 Clinical (unspecified phase)
0.6923 Remote Similarity NPD915 Approved
0.6923 Remote Similarity NPD3496 Discontinued
0.6917 Remote Similarity NPD2082 Clinical (unspecified phase)
0.6891 Remote Similarity NPD3685 Discontinued
0.6875 Remote Similarity NPD5535 Approved
0.687 Remote Similarity NPD9092 Discovery
0.6869 Remote Similarity NPD9094 Approved
0.6864 Remote Similarity NPD1610 Phase 2
0.6855 Remote Similarity NPD1423 Approved
0.6855 Remote Similarity NPD3162 Approved
0.6855 Remote Similarity NPD3163 Approved
0.6842 Remote Similarity NPD9093 Approved
0.6842 Remote Similarity NPD2557 Approved
0.6814 Remote Similarity NPD592 Approved
0.6814 Remote Similarity NPD5283 Phase 1
0.6814 Remote Similarity NPD594 Approved
0.68 Remote Similarity NPD1612 Clinical (unspecified phase)
0.68 Remote Similarity NPD1613 Approved
0.68 Remote Similarity NPD3597 Clinical (unspecified phase)
0.6783 Remote Similarity NPD3596 Phase 2
0.6777 Remote Similarity NPD6362 Approved
0.6777 Remote Similarity NPD987 Approved
0.6774 Remote Similarity NPD6798 Discontinued
0.6757 Remote Similarity NPD5451 Approved
0.6752 Remote Similarity NPD6382 Discontinued
0.6752 Remote Similarity NPD5585 Approved
0.675 Remote Similarity NPD6582 Phase 2
0.675 Remote Similarity NPD6583 Phase 3
0.6735 Remote Similarity NPD111 Approved
0.6721 Remote Similarity NPD558 Phase 2
0.6721 Remote Similarity NPD3690 Phase 2
0.6721 Remote Similarity NPD3691 Phase 2
0.672 Remote Similarity NPD6233 Phase 2
0.672 Remote Similarity NPD4062 Phase 3
0.6693 Remote Similarity NPD2224 Approved
0.6693 Remote Similarity NPD2223 Approved
0.6693 Remote Similarity NPD6653 Approved
0.6667 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4060 Phase 1
0.6667 Remote Similarity NPD6581 Approved
0.6667 Remote Similarity NPD1840 Phase 2
0.6667 Remote Similarity NPD6580 Approved
0.6641 Remote Similarity NPD4538 Approved
0.6641 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6641 Remote Similarity NPD4536 Approved
0.664 Remote Similarity NPD1048 Approved
0.6639 Remote Similarity NPD9549 Phase 2
0.6614 Remote Similarity NPD5735 Approved
0.6614 Remote Similarity NPD6355 Discontinued
0.6614 Remote Similarity NPD4340 Discontinued
0.6613 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6612 Remote Similarity NPD4379 Clinical (unspecified phase)
0.661 Remote Similarity NPD3049 Approved
0.661 Remote Similarity NPD3445 Approved
0.661 Remote Similarity NPD3443 Approved
0.661 Remote Similarity NPD2595 Approved
0.661 Remote Similarity NPD2594 Approved
0.661 Remote Similarity NPD6830 Clinical (unspecified phase)
0.661 Remote Similarity NPD3444 Approved
0.6589 Remote Similarity NPD2155 Approved
0.6589 Remote Similarity NPD2154 Approved
0.6589 Remote Similarity NPD5588 Approved
0.6589 Remote Similarity NPD5960 Phase 3
0.6589 Remote Similarity NPD3152 Clinical (unspecified phase)
0.6589 Remote Similarity NPD2156 Approved
0.6587 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6585 Remote Similarity NPD6584 Phase 3
0.6583 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6583 Remote Similarity NPD422 Phase 1
0.6583 Remote Similarity NPD1535 Discovery
0.6581 Remote Similarity NPD5536 Phase 2
0.6579 Remote Similarity NPD1138 Approved
0.6566 Remote Similarity NPD9073 Approved
0.656 Remote Similarity NPD6179 Discontinued
0.656 Remote Similarity NPD3027 Phase 3
0.656 Remote Similarity NPD7095 Approved
0.6555 Remote Similarity NPD2554 Approved
0.6555 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6555 Remote Similarity NPD2556 Approved
0.6555 Remote Similarity NPD1010 Approved
0.6552 Remote Similarity NPD709 Approved
0.6538 Remote Similarity NPD5712 Approved
0.6538 Remote Similarity NPD2240 Approved
0.6538 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6538 Remote Similarity NPD2239 Approved
0.6538 Remote Similarity NPD1422 Approved
0.6532 Remote Similarity NPD454 Approved
0.6532 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6532 Remote Similarity NPD1712 Approved
0.6532 Remote Similarity NPD4993 Discontinued
0.6532 Remote Similarity NPD9494 Approved
0.6532 Remote Similarity NPD2861 Phase 2
0.6532 Remote Similarity NPD455 Discontinued
0.6529 Remote Similarity NPD1608 Approved
0.6529 Remote Similarity NPD9717 Approved
0.6529 Remote Similarity NPD1481 Phase 2
0.6508 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6504 Remote Similarity NPD1770 Clinical (unspecified phase)
0.6491 Remote Similarity NPD1139 Approved
0.6491 Remote Similarity NPD1137 Approved
0.6489 Remote Similarity NPD5763 Approved
0.6489 Remote Similarity NPD521 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5762 Approved
0.648 Remote Similarity NPD4908 Phase 1
0.648 Remote Similarity NPD5752 Clinical (unspecified phase)
0.648 Remote Similarity NPD3537 Clinical (unspecified phase)
0.648 Remote Similarity NPD682 Discontinued
0.6476 Remote Similarity NPD2933 Approved
0.6476 Remote Similarity NPD2934 Approved
0.6475 Remote Similarity NPD5327 Phase 3
0.6475 Remote Similarity NPD4129 Approved
0.6475 Remote Similarity NPD4359 Approved
0.6471 Remote Similarity NPD5691 Approved
0.6446 Remote Similarity NPD3705 Approved
0.6439 Remote Similarity NPD2424 Discontinued
0.6429 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5163 Phase 2
0.6423 Remote Similarity NPD3225 Approved
0.6421 Remote Similarity NPD9294 Approved
0.6417 Remote Similarity NPD4626 Approved
0.6417 Remote Similarity NPD17 Approved
0.6417 Remote Similarity NPD2668 Approved
0.6417 Remote Similarity NPD2667 Approved
0.6417 Remote Similarity NPD2107 Clinical (unspecified phase)
0.6415 Remote Similarity NPD2859 Approved
0.6415 Remote Similarity NPD2860 Approved
0.6412 Remote Similarity NPD1501 Clinical (unspecified phase)
0.641 Remote Similarity NPD9685 Approved
0.6406 Remote Similarity NPD1558 Phase 1
0.6406 Remote Similarity NPD4140 Approved
0.6391 Remote Similarity NPD5062 Approved
0.6391 Remote Similarity NPD1652 Phase 2
0.6391 Remote Similarity NPD1416 Approved
0.6391 Remote Similarity NPD5061 Approved

Structure

External Identifiers

PubChem CID   31236
ChEMBL   CHEMBL1229846
ZINC  

Physicochemical Properties

Molecular Weight:  138.07
ALogP:  -0.5912
MLogP:  2.12
XLogP:  1.854
# Rotatable Bonds:  4
Polar Surface Area:  29.46
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  10

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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