Natural Product: NPC115627

Natural Product ID:  NPC115627
Common Name:   4-(2-Amino-1-Hydroxyethyl)Benzene-1,2-Diol
IUPAC Name:   4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
Synonyms:  
Molecular Formula:   C8H11NO3
Standard InCHIKey:  SFLSHLFXELFNJZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
Canonical SMILES:  NCC(c1ccc(c(c1)O)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 DOI[10.1038/nbt.2488]
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 4610.6 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 9466.2 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 670.2 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 23934.1 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT534 Individual Protein Phosphoglycerate kinase, glycosomal Trypanosoma brucei brucei Potency 4775.5 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 7304.8 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 2993.5 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 15848.9 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 7519.3 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 1158.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13324.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11875.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2658.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.047 10'-6mg/kg 671451
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 5745 671451
NPT2 Others Unspecified EC50 = 700 nM 231654
NPT2 Others Unspecified EC50 = 2600 nM 231654
NPT972 Protein Family Adrenergic receptor alpha Rattus norvegicus EC50 = 3000 nM 231654
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus EC50 = 800 nM 231654
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus EC50 = 5000 nM 231654
NPT972 Protein Family Adrenergic receptor alpha Rattus norvegicus EC50 = 5000 nM 231654
NPT2 Others Unspecified EC50 = 15600 nM 231654
NPT2 Others Unspecified Activity = 10 % 1246042

  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 NPC115627 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 NPC169207
1.0 High Similarity NPC118522
0.9412 High Similarity NPC236347
0.9412 High Similarity NPC323775
0.9286 High Similarity NPC146422
0.9106 High Similarity NPC326599
0.9106 High Similarity NPC329595
0.9018 High Similarity NPC145638
0.9018 High Similarity NPC290566
0.8814 High Similarity NPC85276
0.8689 High Similarity NPC318777
0.8571 High Similarity NPC137096
0.8571 High Similarity NPC12278
0.8559 High Similarity NPC10286
0.8559 High Similarity NPC213
0.8537 High Similarity NPC140359
0.8537 High Similarity NPC13020
0.8482 Intermediate Similarity NPC68055
0.8475 Intermediate Similarity NPC142599
0.8393 Intermediate Similarity NPC110764
0.8293 Intermediate Similarity NPC284078
0.8268 Intermediate Similarity NPC145888
0.8268 Intermediate Similarity NPC161593
0.8268 Intermediate Similarity NPC16031
0.8214 Intermediate Similarity NPC125732
0.8214 Intermediate Similarity NPC131587
0.8205 Intermediate Similarity NPC71266
0.8154 Intermediate Similarity NPC88667
0.8125 Intermediate Similarity NPC109955
0.811 Intermediate Similarity NPC318965
0.8083 Intermediate Similarity NPC471485
0.8051 Intermediate Similarity NPC62258
0.8051 Intermediate Similarity NPC55617
0.8047 Intermediate Similarity NPC322366
0.8017 Intermediate Similarity NPC120280
0.7984 Intermediate Similarity NPC268572
0.7983 Intermediate Similarity NPC226401
0.7983 Intermediate Similarity NPC120982
0.7983 Intermediate Similarity NPC147634
0.7983 Intermediate Similarity NPC79793
0.7983 Intermediate Similarity NPC174096
0.7967 Intermediate Similarity NPC283468
0.7967 Intermediate Similarity NPC120075
0.7917 Intermediate Similarity NPC187583
0.7917 Intermediate Similarity NPC179002
0.7917 Intermediate Similarity NPC257430
0.7907 Intermediate Similarity NPC321561
0.7903 Intermediate Similarity NPC122009
0.7857 Intermediate Similarity NPC215351
0.7857 Intermediate Similarity NPC20142
0.7852 Intermediate Similarity NPC41473
0.7852 Intermediate Similarity NPC204848
0.7852 Intermediate Similarity NPC312770
0.7852 Intermediate Similarity NPC14600
0.7852 Intermediate Similarity NPC160607
0.7845 Intermediate Similarity NPC196479
0.784 Intermediate Similarity NPC320987
0.784 Intermediate Similarity NPC181969
0.7826 Intermediate Similarity NPC29601
0.7788 Intermediate Similarity NPC107522
0.7788 Intermediate Similarity NPC313650
0.7787 Intermediate Similarity NPC264558
0.7778 Intermediate Similarity NPC120719
0.7778 Intermediate Similarity NPC35071
0.7778 Intermediate Similarity NPC177475
0.7778 Intermediate Similarity NPC148615
0.7778 Intermediate Similarity NPC471511
0.776 Intermediate Similarity NPC255675
0.776 Intermediate Similarity NPC63126
0.7744 Intermediate Similarity NPC33338
0.7744 Intermediate Similarity NPC208757
0.7744 Intermediate Similarity NPC302171
0.7744 Intermediate Similarity NPC300020
0.7742 Intermediate Similarity NPC221049
0.7712 Intermediate Similarity NPC239291
0.771 Intermediate Similarity NPC153990
0.7698 Intermediate Similarity NPC477803
0.7692 Intermediate Similarity NPC477801
0.7692 Intermediate Similarity NPC477802
0.7681 Intermediate Similarity NPC66518
0.7672 Intermediate Similarity NPC223393
0.7672 Intermediate Similarity NPC130103
0.7671 Intermediate Similarity NPC37205
0.7671 Intermediate Similarity NPC160931
0.7664 Intermediate Similarity NPC299583
0.7656 Intermediate Similarity NPC266045
0.7656 Intermediate Similarity NPC470804
0.7656 Intermediate Similarity NPC476343
0.7652 Intermediate Similarity NPC271808
0.7652 Intermediate Similarity NPC164514
0.7652 Intermediate Similarity NPC108606
0.7652 Intermediate Similarity NPC290515
0.7652 Intermediate Similarity NPC226096
0.7652 Intermediate Similarity NPC474073
0.7652 Intermediate Similarity NPC303611
0.7647 Intermediate Similarity NPC477814
0.7647 Intermediate Similarity NPC19149
0.7638 Intermediate Similarity NPC472071
0.7623 Intermediate Similarity NPC280382
0.7623 Intermediate Similarity NPC268032
0.7615 Intermediate Similarity NPC105513
0.7611 Intermediate Similarity NPC138117
0.7611 Intermediate Similarity NPC325292
0.7603 Intermediate Similarity NPC473524
0.76 Intermediate Similarity NPC188867
0.76 Intermediate Similarity NPC281686
0.76 Intermediate Similarity NPC106551
0.7597 Intermediate Similarity NPC209567
0.7597 Intermediate Similarity NPC298486
0.7589 Intermediate Similarity NPC300478
0.7589 Intermediate Similarity NPC300017
0.7589 Intermediate Similarity NPC312304
0.7583 Intermediate Similarity NPC176527
0.7578 Intermediate Similarity NPC470414
0.7576 Intermediate Similarity NPC477839
0.7574 Intermediate Similarity NPC64205
0.7559 Intermediate Similarity NPC135961
0.7542 Intermediate Similarity NPC178902
0.754 Intermediate Similarity NPC164386
0.7538 Intermediate Similarity NPC473451
0.7536 Intermediate Similarity NPC170170
0.7536 Intermediate Similarity NPC211468
0.7536 Intermediate Similarity NPC219233
0.7521 Intermediate Similarity NPC155847
0.7521 Intermediate Similarity NPC233835
0.7521 Intermediate Similarity NPC34864
0.7521 Intermediate Similarity NPC58427
0.7521 Intermediate Similarity NPC289381
0.7521 Intermediate Similarity NPC105727
0.7521 Intermediate Similarity NPC114392
0.75 Intermediate Similarity NPC107619
0.7483 Intermediate Similarity NPC115144
0.7483 Intermediate Similarity NPC277857
0.7482 Intermediate Similarity NPC323123
0.7481 Intermediate Similarity NPC214869
0.7481 Intermediate Similarity NPC93882
0.7481 Intermediate Similarity NPC130595
0.748 Intermediate Similarity NPC8547
0.748 Intermediate Similarity NPC139617
0.748 Intermediate Similarity NPC173746
0.748 Intermediate Similarity NPC156840
0.748 Intermediate Similarity NPC257124
0.748 Intermediate Similarity NPC78918
0.7479 Intermediate Similarity NPC52087
0.7479 Intermediate Similarity NPC79672
0.7459 Intermediate Similarity NPC228343
0.7459 Intermediate Similarity NPC254833
0.7458 Intermediate Similarity NPC327226
0.7444 Intermediate Similarity NPC251571
0.7444 Intermediate Similarity NPC291847
0.7442 Intermediate Similarity NPC183262
0.7426 Intermediate Similarity NPC6854
0.7426 Intermediate Similarity NPC313737
0.7426 Intermediate Similarity NPC285078
0.7424 Intermediate Similarity NPC90318
0.7422 Intermediate Similarity NPC109371
0.7422 Intermediate Similarity NPC239697
0.7422 Intermediate Similarity NPC311595
0.7422 Intermediate Similarity NPC470215
0.7422 Intermediate Similarity NPC470214
0.7422 Intermediate Similarity NPC24474
0.7422 Intermediate Similarity NPC283760
0.7417 Intermediate Similarity NPC471350
0.7411 Intermediate Similarity NPC104216
0.7407 Intermediate Similarity NPC114102
0.7405 Intermediate Similarity NPC471693
0.7405 Intermediate Similarity NPC165375
0.7405 Intermediate Similarity NPC220598
0.7405 Intermediate Similarity NPC307020
0.7402 Intermediate Similarity NPC145023
0.7402 Intermediate Similarity NPC200988
0.7402 Intermediate Similarity NPC175799
0.7402 Intermediate Similarity NPC610
0.7398 Intermediate Similarity NPC222084
0.7388 Intermediate Similarity NPC155838
0.7385 Intermediate Similarity NPC322332
0.7385 Intermediate Similarity NPC211992
0.7381 Intermediate Similarity NPC4665
0.7377 Intermediate Similarity NPC153690
0.7373 Intermediate Similarity NPC174911
0.7373 Intermediate Similarity NPC294741
0.7372 Intermediate Similarity NPC218530
0.7368 Intermediate Similarity NPC58607
0.7368 Intermediate Similarity NPC178284
0.7368 Intermediate Similarity NPC191037
0.7364 Intermediate Similarity NPC265454
0.7364 Intermediate Similarity NPC252817
0.7364 Intermediate Similarity NPC34634
0.736 Intermediate Similarity NPC148969
0.736 Intermediate Similarity NPC59387
0.7355 Intermediate Similarity NPC1075
0.7355 Intermediate Similarity NPC231705
0.7355 Intermediate Similarity NPC294902
0.7355 Intermediate Similarity NPC1786
0.7348 Intermediate Similarity NPC257682
0.7348 Intermediate Similarity NPC146355
0.7348 Intermediate Similarity NPC131747
0.7344 Intermediate Similarity NPC309434
0.7344 Intermediate Similarity NPC86198
0.7339 Intermediate Similarity NPC21890

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC115627 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 NPD9384 Approved
1.0 High Similarity NPD9381 Approved
0.9655 High Similarity NPD9622 Approved
0.9412 High Similarity NPD9621 Approved
0.9412 High Similarity NPD9619 Approved
0.9412 High Similarity NPD9620 Approved
0.9286 High Similarity NPD9377 Approved
0.9286 High Similarity NPD9379 Approved
0.9106 High Similarity NPD597 Approved
0.9106 High Similarity NPD598 Approved
0.9106 High Similarity NPD601 Approved
0.9032 High Similarity NPD1136 Approved
0.9032 High Similarity NPD1130 Approved
0.9032 High Similarity NPD1132 Approved
0.9018 High Similarity NPD9380 Clinical (unspecified phase)
0.896 High Similarity NPD3062 Approved
0.896 High Similarity NPD3061 Approved
0.896 High Similarity NPD3059 Approved
0.8819 High Similarity NPD5314 Approved
0.8819 High Similarity NPD817 Approved
0.8819 High Similarity NPD823 Approved
0.8793 High Similarity NPD9614 Approved
0.8793 High Similarity NPD9618 Approved
0.8615 High Similarity NPD9570 Approved
0.8571 High Similarity NPD9615 Approved
0.8571 High Similarity NPD9613 Approved
0.8571 High Similarity NPD9616 Approved
0.85 High Similarity NPD316 Approved
0.8417 Intermediate Similarity NPD318 Approved
0.8417 Intermediate Similarity NPD317 Approved
0.8417 Intermediate Similarity NPD856 Approved
0.8417 Intermediate Similarity NPD16 Approved
0.8409 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.832 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.832 Intermediate Similarity NPD5311 Approved
0.832 Intermediate Similarity NPD5310 Approved
0.8268 Intermediate Similarity NPD9569 Approved
0.8254 Intermediate Similarity NPD3055 Approved
0.8254 Intermediate Similarity NPD3053 Approved
0.8168 Intermediate Similarity NPD555 Phase 2
0.8154 Intermediate Similarity NPD259 Phase 1
0.8087 Intermediate Similarity NPD9608 Approved
0.8087 Intermediate Similarity NPD9610 Approved
0.8047 Intermediate Similarity NPD599 Approved
0.8047 Intermediate Similarity NPD859 Approved
0.8047 Intermediate Similarity NPD602 Approved
0.8047 Intermediate Similarity NPD858 Approved
0.8016 Intermediate Similarity NPD2561 Approved
0.8016 Intermediate Similarity NPD2562 Approved
0.8015 Intermediate Similarity NPD3060 Approved
0.8 Intermediate Similarity NPD9536 Phase 1
0.8 Intermediate Similarity NPD9537 Phase 1
0.7986 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.797 Intermediate Similarity NPD2568 Approved
0.7939 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD258 Approved
0.7907 Intermediate Similarity NPD257 Approved
0.7899 Intermediate Similarity NPD302 Approved
0.7833 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD1135 Approved
0.7829 Intermediate Similarity NPD1134 Approved
0.7829 Intermediate Similarity NPD1133 Approved
0.7829 Intermediate Similarity NPD1131 Approved
0.7829 Intermediate Similarity NPD1129 Approved
0.782 Intermediate Similarity NPD825 Approved
0.782 Intermediate Similarity NPD826 Approved
0.7671 Intermediate Similarity NPD2978 Approved
0.7671 Intermediate Similarity NPD2977 Approved
0.7652 Intermediate Similarity NPD9611 Approved
0.7652 Intermediate Similarity NPD9609 Approved
0.7652 Intermediate Similarity NPD600 Approved
0.7652 Intermediate Similarity NPD596 Approved
0.7652 Intermediate Similarity NPD9612 Approved
0.7634 Intermediate Similarity NPD558 Phase 2
0.7612 Intermediate Similarity NPD6407 Approved
0.7612 Intermediate Similarity NPD6405 Approved
0.76 Intermediate Similarity NPD9568 Approved
0.7597 Intermediate Similarity NPD2235 Phase 2
0.7597 Intermediate Similarity NPD2231 Phase 2
0.7569 Intermediate Similarity NPD3687 Approved
0.7569 Intermediate Similarity NPD3686 Approved
0.7536 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD275 Approved
0.75 Intermediate Similarity NPD4162 Approved
0.75 Intermediate Similarity NPD274 Approved
0.7483 Intermediate Similarity NPD3645 Discontinued
0.7481 Intermediate Similarity NPD829 Discontinued
0.7481 Intermediate Similarity NPD2674 Phase 3
0.748 Intermediate Similarity NPD228 Approved
0.7462 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD3022 Approved
0.7459 Intermediate Similarity NPD3021 Approved
0.7405 Intermediate Similarity NPD4659 Approved
0.7397 Intermediate Similarity NPD3455 Phase 2
0.7364 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD1445 Approved
0.7355 Intermediate Similarity NPD1444 Approved
0.7353 Intermediate Similarity NPD840 Approved
0.7353 Intermediate Similarity NPD839 Approved
0.7333 Intermediate Similarity NPD314 Approved
0.7333 Intermediate Similarity NPD311 Approved
0.7333 Intermediate Similarity NPD310 Approved
0.7333 Intermediate Similarity NPD309 Approved
0.7333 Intermediate Similarity NPD315 Approved
0.7333 Intermediate Similarity NPD10 Approved
0.7319 Intermediate Similarity NPD3052 Approved
0.7319 Intermediate Similarity NPD3054 Approved
0.7305 Intermediate Similarity NPD7153 Discontinued
0.7293 Intermediate Similarity NPD4103 Phase 2
0.7293 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD3144 Approved
0.7279 Intermediate Similarity NPD3145 Approved
0.7273 Intermediate Similarity NPD5137 Approved
0.7266 Intermediate Similarity NPD3554 Approved
0.7266 Intermediate Similarity NPD3552 Approved
0.7266 Intermediate Similarity NPD3553 Approved
0.7266 Intermediate Similarity NPD3555 Approved
0.7244 Intermediate Similarity NPD256 Approved
0.7244 Intermediate Similarity NPD255 Approved
0.7239 Intermediate Similarity NPD2195 Approved
0.7239 Intermediate Similarity NPD2194 Approved
0.7222 Intermediate Similarity NPD2229 Approved
0.7222 Intermediate Similarity NPD2228 Approved
0.7222 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3845 Phase 1
0.7222 Intermediate Similarity NPD2234 Approved
0.7206 Intermediate Similarity NPD3027 Phase 3
0.7206 Intermediate Similarity NPD3136 Phase 2
0.7192 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD52 Approved
0.7192 Intermediate Similarity NPD7526 Approved
0.7177 Intermediate Similarity NPD1792 Phase 2
0.7165 Intermediate Similarity NPD1793 Approved
0.7165 Intermediate Similarity NPD1791 Approved
0.7133 Intermediate Similarity NPD3638 Discontinued
0.7121 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD1375 Discontinued
0.7101 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1242 Phase 1
0.705 Intermediate Similarity NPD1613 Approved
0.705 Intermediate Similarity NPD2238 Phase 2
0.705 Intermediate Similarity NPD1558 Phase 1
0.705 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1819 Approved
0.7037 Intermediate Similarity NPD1817 Approved
0.7037 Intermediate Similarity NPD1818 Approved
0.7037 Intermediate Similarity NPD1820 Approved
0.7034 Intermediate Similarity NPD2677 Approved
0.7034 Intermediate Similarity NPD5241 Discontinued
0.7023 Intermediate Similarity NPD4093 Discontinued
0.7014 Intermediate Similarity NPD4237 Approved
0.7014 Intermediate Similarity NPD4236 Phase 3
0.7007 Intermediate Similarity NPD3536 Discontinued
0.6993 Remote Similarity NPD7978 Discontinued
0.6985 Remote Similarity NPD7451 Discontinued
0.698 Remote Similarity NPD1973 Approved
0.698 Remote Similarity NPD1969 Clinical (unspecified phase)
0.698 Remote Similarity NPD1972 Approved
0.6972 Remote Similarity NPD1753 Discontinued
0.6963 Remote Similarity NPD196 Phase 1
0.6959 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3179 Approved
0.6957 Remote Similarity NPD3180 Approved
0.6949 Remote Similarity NPD2934 Approved
0.6949 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6949 Remote Similarity NPD2933 Approved
0.6942 Remote Similarity NPD289 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1774 Approved
0.6923 Remote Similarity NPD2161 Phase 2
0.6917 Remote Similarity NPD2688 Clinical (unspecified phase)
0.6906 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6903 Remote Similarity NPD111 Approved
0.6892 Remote Similarity NPD3157 Approved
0.6892 Remote Similarity NPD3158 Phase 1
0.6892 Remote Similarity NPD4123 Phase 3
0.6891 Remote Similarity NPD844 Approved
0.6891 Remote Similarity NPD2859 Approved
0.6891 Remote Similarity NPD2860 Approved
0.6885 Remote Similarity NPD855 Approved
0.6885 Remote Similarity NPD854 Approved
0.6885 Remote Similarity NPD940 Approved
0.6885 Remote Similarity NPD846 Approved
0.6884 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6866 Remote Similarity NPD3092 Approved
0.6863 Remote Similarity NPD5773 Approved
0.6863 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5772 Approved
0.686 Remote Similarity NPD3020 Approved
0.6857 Remote Similarity NPD1423 Approved
0.6842 Remote Similarity NPD1751 Approved
0.6835 Remote Similarity NPD3166 Approved
0.6835 Remote Similarity NPD3164 Approved
0.6835 Remote Similarity NPD3167 Approved
0.6835 Remote Similarity NPD3165 Approved
0.6833 Remote Similarity NPD288 Approved
0.6831 Remote Similarity NPD2653 Approved
0.6818 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6788 Remote Similarity NPD1794 Approved
0.6788 Remote Similarity NPD3094 Phase 2

Structure

External Identifiers

PubChem CID   951
ChEMBL   CHEMBL432
ZINC  

Physicochemical Properties

Molecular Weight:  169.07
ALogP:  -2.1696
MLogP:  1.9
XLogP:  -0.46
# Rotatable Bonds:  6
Polar Surface Area:  86.71
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  12

Download Data

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Structure MOL file  
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Biological Activities  
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