Natural Product: NPC307123

Natural Product ID:  NPC307123
Common Name:   Atenolol
IUPAC Name:   2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Synonyms:   Antipressan; Atenamin; Atenix-100; Atenix-25; Atenix-50; Atenolol; Esatenolol; Ibinolo; ICI-66082; Kentol; Tenormin; Tenormin 25; Tenormin L.S.; Totamol; Unibloc; Vasaten
Molecular Formula:   C14H22N2O3
Standard InCHIKey:  METKIMKYRPQLGS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
Canonical SMILES:  OC(COc1ccc(cc1)CC(=N)O)CNC(C)C
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 blood PMID[15651086]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TCM_Taiwan*
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota TM-MC*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TM-MC*
NPO4659 Asiasarum heterotropoides NA NA NA TM-MC*
NPO29078 Asiasarum sieboldii NA NA NA TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT605 Organism Homo sapiens Homo sapiens Ratio ~ 1 11384238
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Activity = 4.14 10.1016/S0960-894X(97)00046-2
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus ED50 = 0.091 mg/kg 6142955
NPT4663 Individual Protein Beta-2 adrenergic receptor Canis lupus familiaris ED50 = 2.13 mg/kg 6142955
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus ED30 > 1000 ug kg-1 6142955
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 23.99 nM 6134834
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 1174.9 nM 6134834
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens Ratio = 49 6134834
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus ED50 = 0.091 mg/kg 6138435
NPT4663 Individual Protein Beta-2 adrenergic receptor Canis lupus familiaris ED50 = 2.13 mg/kg 6138435
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus ED30 > 1000 ug kg-1 6138435
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 10000 nM 8568799
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 158.49 nM 1361581
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 23.99 nM 2872332
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 1174.9 nM 2872332
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens Ratio = 49 2872332
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens IC50 = 1.77 nM 16250647
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 79.01 mmHg 19036593
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 63.44 mmHg 19036593
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 65.24 mmHg 19036593
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 69.93 mmHg 19036593
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = -4.6 % 18788725
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 600 nM 18983139
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Ki = 430 nM 18983139
NPT5538 Individual Protein Fatty acid-binding protein, liver Rattus norvegicus Ki = 717000 nM 18533710
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 1740 nM 18588282
NPT605 Organism Homo sapiens Homo sapiens Activity = 0.5 % 20022146
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 5 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 70.8 nM PubChem BioAssay data set
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 1640 nM 20875743
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 163.6 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 8492.1 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 1.49 21764308
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Ki = 170 nM 21726069
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 597.3 nM PubChem BioAssay data set
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 1313 nM DrugMatrix in vitro pharmacology data
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Ki = 758 nM DrugMatrix in vitro pharmacology data
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens IC50 = 14634 nM DrugMatrix in vitro pharmacology data
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Ki = 10061 nM DrugMatrix in vitro pharmacology data
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 1.75 22464423
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 0.57 22464423
NPT10 Individual Protein Geminin Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 6.8 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 7.1 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 20.6 % 22541068
NPT2 Others Unspecified Inhibition > 70 % 10.1007/s00044-010-9454-7
NPT2 Others Unspecified Ki = 185000 nM 10.1007/s00044-010-9454-7
NPT2 Others Unspecified IC50 = 375000 nM 10.1007/s00044-010-9454-7
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 230 nM 23582449
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Ki = 150 nM 23466604
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 260 nM 23466604
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 78.26 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 93.81 % 23571415
NPT2 Others Unspecified Potency 611.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2454.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 194.9 nM PubChem BioAssay data set
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 1258.93 nM 31474
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 43.65 nM 31474
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 3.7 26344593
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 3.7 26363868
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ratio = 0.76 26741854
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 210 nM 26988801

  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 NPC307123 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 NPC247018
1.0 High Similarity NPC97870
0.9516 High Similarity NPC320242
0.9206 High Similarity NPC136112
0.9206 High Similarity NPC141739
0.8467 Intermediate Similarity NPC318591
0.8467 Intermediate Similarity NPC231163
0.8417 Intermediate Similarity NPC204546
0.8102 Intermediate Similarity NPC274732
0.8031 Intermediate Similarity NPC26524
0.7958 Intermediate Similarity NPC212850
0.7958 Intermediate Similarity NPC189724
0.7958 Intermediate Similarity NPC83289
0.791 Intermediate Similarity NPC328267
0.7867 Intermediate Similarity NPC233926
0.7785 Intermediate Similarity NPC47672
0.7755 Intermediate Similarity NPC245974
0.7742 Intermediate Similarity NPC108875
0.7742 Intermediate Similarity NPC38079
0.774 Intermediate Similarity NPC247298
0.7714 Intermediate Similarity NPC471953
0.768 Intermediate Similarity NPC470393
0.7656 Intermediate Similarity NPC46844
0.7638 Intermediate Similarity NPC97811
0.7634 Intermediate Similarity NPC10286
0.7634 Intermediate Similarity NPC213
0.7612 Intermediate Similarity NPC263835
0.7597 Intermediate Similarity NPC166837
0.7591 Intermediate Similarity NPC95733
0.7591 Intermediate Similarity NPC62101
0.7589 Intermediate Similarity NPC470392
0.7574 Intermediate Similarity NPC298486
0.7559 Intermediate Similarity NPC194034
0.7537 Intermediate Similarity NPC256369
0.7536 Intermediate Similarity NPC29477
0.7532 Intermediate Similarity NPC37205
0.7532 Intermediate Similarity NPC160931
0.7518 Intermediate Similarity NPC326599
0.7518 Intermediate Similarity NPC329595
0.7516 Intermediate Similarity NPC156311
0.7466 Intermediate Similarity NPC168861
0.744 Intermediate Similarity NPC51633
0.7422 Intermediate Similarity NPC251306
0.7419 Intermediate Similarity NPC100870
0.7407 Intermediate Similarity NPC283760
0.7407 Intermediate Similarity NPC43275
0.7405 Intermediate Similarity NPC115379
0.7402 Intermediate Similarity NPC42383
0.74 Intermediate Similarity NPC132771
0.7391 Intermediate Similarity NPC13020
0.7391 Intermediate Similarity NPC211218
0.7391 Intermediate Similarity NPC140359
0.7381 Intermediate Similarity NPC192596
0.7364 Intermediate Similarity NPC146530
0.7353 Intermediate Similarity NPC321133
0.7351 Intermediate Similarity NPC324081
0.7348 Intermediate Similarity NPC301735
0.7343 Intermediate Similarity NPC208757
0.7338 Intermediate Similarity NPC206372
0.7338 Intermediate Similarity NPC203424
0.7329 Intermediate Similarity NPC204848
0.7329 Intermediate Similarity NPC41473
0.7329 Intermediate Similarity NPC14600
0.7329 Intermediate Similarity NPC312770
0.7329 Intermediate Similarity NPC160607
0.7305 Intermediate Similarity NPC191302
0.7305 Intermediate Similarity NPC153990
0.7299 Intermediate Similarity NPC83279
0.7297 Intermediate Similarity NPC195814
0.729 Intermediate Similarity NPC56635
0.7278 Intermediate Similarity NPC158900
0.7273 Intermediate Similarity NPC114102
0.7266 Intermediate Similarity NPC255253
0.7266 Intermediate Similarity NPC8302
0.7259 Intermediate Similarity NPC137096
0.7259 Intermediate Similarity NPC120075
0.7252 Intermediate Similarity NPC137685
0.725 Intermediate Similarity NPC186617
0.7239 Intermediate Similarity NPC303370
0.7237 Intermediate Similarity NPC115144
0.7237 Intermediate Similarity NPC277857
0.7234 Intermediate Similarity NPC323775
0.7234 Intermediate Similarity NPC236347
0.7233 Intermediate Similarity NPC254700
0.7231 Intermediate Similarity NPC309982
0.7226 Intermediate Similarity NPC17388
0.7226 Intermediate Similarity NPC53596
0.7226 Intermediate Similarity NPC160120
0.7226 Intermediate Similarity NPC471308
0.7226 Intermediate Similarity NPC289330
0.7222 Intermediate Similarity NPC130595
0.7222 Intermediate Similarity NPC93882
0.7219 Intermediate Similarity NPC313414
0.7211 Intermediate Similarity NPC474673
0.7205 Intermediate Similarity NPC471568
0.7205 Intermediate Similarity NPC473693
0.7205 Intermediate Similarity NPC196091
0.72 Intermediate Similarity NPC78530
0.72 Intermediate Similarity NPC63628
0.72 Intermediate Similarity NPC178466
0.7197 Intermediate Similarity NPC21890
0.7197 Intermediate Similarity NPC55300
0.7194 Intermediate Similarity NPC71090
0.7192 Intermediate Similarity NPC64205
0.7192 Intermediate Similarity NPC470471
0.719 Intermediate Similarity NPC76412
0.7188 Intermediate Similarity NPC226778
0.7188 Intermediate Similarity NPC147000
0.7188 Intermediate Similarity NPC150254
0.7188 Intermediate Similarity NPC304761
0.7185 Intermediate Similarity NPC258992
0.7183 Intermediate Similarity NPC186898
0.7183 Intermediate Similarity NPC198798
0.7176 Intermediate Similarity NPC474272
0.7176 Intermediate Similarity NPC145638
0.7176 Intermediate Similarity NPC290566
0.7176 Intermediate Similarity NPC24777
0.7174 Intermediate Similarity NPC318357
0.7174 Intermediate Similarity NPC183262
0.7172 Intermediate Similarity NPC313737
0.7172 Intermediate Similarity NPC6854
0.7172 Intermediate Similarity NPC285078
0.7164 Intermediate Similarity NPC235250
0.7164 Intermediate Similarity NPC118202
0.7162 Intermediate Similarity NPC299583
0.7154 Intermediate Similarity NPC186469
0.7153 Intermediate Similarity NPC163036
0.7152 Intermediate Similarity NPC294249
0.7143 Intermediate Similarity NPC258222
0.7143 Intermediate Similarity NPC165646
0.7133 Intermediate Similarity NPC271808
0.7133 Intermediate Similarity NPC155838
0.7132 Intermediate Similarity NPC164386
0.7132 Intermediate Similarity NPC323948
0.7132 Intermediate Similarity NPC473855
0.7125 Intermediate Similarity NPC469479
0.7123 Intermediate Similarity NPC218530
0.7122 Intermediate Similarity NPC127389
0.7122 Intermediate Similarity NPC290451
0.7122 Intermediate Similarity NPC211992
0.7114 Intermediate Similarity NPC477838
0.7114 Intermediate Similarity NPC477837
0.7113 Intermediate Similarity NPC301713
0.7111 Intermediate Similarity NPC317254
0.7109 Intermediate Similarity NPC305205
0.7107 Intermediate Similarity NPC22014
0.7103 Intermediate Similarity NPC214869
0.7101 Intermediate Similarity NPC41801
0.7101 Intermediate Similarity NPC60589
0.7101 Intermediate Similarity NPC469708
0.7097 Intermediate Similarity NPC476742
0.7097 Intermediate Similarity NPC469711
0.7095 Intermediate Similarity NPC470470
0.7095 Intermediate Similarity NPC253429
0.7095 Intermediate Similarity NPC214988
0.7092 Intermediate Similarity NPC94276
0.7092 Intermediate Similarity NPC48990
0.7092 Intermediate Similarity NPC293701
0.7092 Intermediate Similarity NPC114901
0.7092 Intermediate Similarity NPC109822
0.7083 Intermediate Similarity NPC262641
0.7083 Intermediate Similarity NPC52029
0.7083 Intermediate Similarity NPC195749
0.7083 Intermediate Similarity NPC35961
0.708 Intermediate Similarity NPC101503
0.708 Intermediate Similarity NPC5932
0.7078 Intermediate Similarity NPC470935
0.7078 Intermediate Similarity NPC471032
0.7075 Intermediate Similarity NPC237227
0.7075 Intermediate Similarity NPC6570
0.7071 Intermediate Similarity NPC471314
0.7071 Intermediate Similarity NPC471315
0.707 Intermediate Similarity NPC2295
0.707 Intermediate Similarity NPC477564
0.707 Intermediate Similarity NPC212699
0.707 Intermediate Similarity NPC207675
0.7063 Intermediate Similarity NPC157740
0.7063 Intermediate Similarity NPC107619
0.7063 Intermediate Similarity NPC99798
0.7063 Intermediate Similarity NPC251571
0.7063 Intermediate Similarity NPC313918
0.7051 Intermediate Similarity NPC76213
0.7051 Intermediate Similarity NPC476741
0.7051 Intermediate Similarity NPC277669
0.705 Intermediate Similarity NPC269242
0.705 Intermediate Similarity NPC198734
0.705 Intermediate Similarity NPC469412
0.7047 Intermediate Similarity NPC36434
0.7042 Intermediate Similarity NPC194519
0.7034 Intermediate Similarity NPC308885
0.7034 Intermediate Similarity NPC255550
0.7032 Intermediate Similarity NPC60538
0.7032 Intermediate Similarity NPC207824
0.7031 Intermediate Similarity NPC327226
0.7029 Intermediate Similarity NPC135961
0.7029 Intermediate Similarity NPC311595
0.7029 Intermediate Similarity NPC24474
0.7025 Intermediate Similarity NPC319320
0.7025 Intermediate Similarity NPC287757
0.7023 Intermediate Similarity NPC258171

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307123 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 NPD1423 Approved
0.9516 High Similarity NPD1819 Approved
0.9516 High Similarity NPD1818 Approved
0.9516 High Similarity NPD1820 Approved
0.9516 High Similarity NPD1817 Approved
0.9219 High Similarity NPD3167 Approved
0.9219 High Similarity NPD3165 Approved
0.9219 High Similarity NPD3166 Approved
0.9219 High Similarity NPD3164 Approved
0.9206 High Similarity NPD1794 Approved
0.907 High Similarity NPD3179 Approved
0.907 High Similarity NPD3180 Approved
0.8815 High Similarity NPD3175 Clinical (unspecified phase)
0.8676 High Similarity NPD2239 Approved
0.8676 High Similarity NPD2240 Approved
0.8647 High Similarity NPD3163 Approved
0.8647 High Similarity NPD3162 Approved
0.8615 High Similarity NPD1770 Clinical (unspecified phase)
0.8582 High Similarity NPD3985 Discontinued
0.8582 High Similarity NPD3597 Clinical (unspecified phase)
0.8467 Intermediate Similarity NPD2156 Approved
0.8467 Intermediate Similarity NPD2155 Approved
0.8467 Intermediate Similarity NPD2154 Approved
0.8456 Intermediate Similarity NPD3052 Approved
0.8456 Intermediate Similarity NPD3054 Approved
0.8433 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.8359 Intermediate Similarity NPD1798 Approved
0.8359 Intermediate Similarity NPD1797 Approved
0.8357 Intermediate Similarity NPD2460 Phase 3
0.8357 Intermediate Similarity NPD2458 Approved
0.8357 Intermediate Similarity NPD2459 Approved
0.8346 Intermediate Similarity NPD2250 Discontinued
0.8239 Intermediate Similarity NPD2677 Approved
0.8227 Intermediate Similarity NPD4162 Approved
0.8194 Intermediate Similarity NPD6419 Discontinued
0.8194 Intermediate Similarity NPD3536 Discontinued
0.8138 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.8138 Intermediate Similarity NPD7526 Approved
0.8138 Intermediate Similarity NPD52 Approved
0.8125 Intermediate Similarity NPD1774 Approved
0.8095 Intermediate Similarity NPD821 Approved
0.8088 Intermediate Similarity NPD5163 Phase 2
0.8074 Intermediate Similarity NPD5266 Clinical (unspecified phase)
0.8069 Intermediate Similarity NPD2874 Phase 2
0.7986 Intermediate Similarity NPD5160 Discontinued
0.7972 Intermediate Similarity NPD5061 Approved
0.7972 Intermediate Similarity NPD5062 Approved
0.7971 Intermediate Similarity NPD3532 Approved
0.7971 Intermediate Similarity NPD3530 Approved
0.7971 Intermediate Similarity NPD3531 Approved
0.7956 Intermediate Similarity NPD6179 Discontinued
0.791 Intermediate Similarity NPD2428 Approved
0.791 Intermediate Similarity NPD2429 Approved
0.7902 Intermediate Similarity NPD7153 Discontinued
0.7899 Intermediate Similarity NPD1336 Approved
0.7879 Intermediate Similarity NPD2554 Approved
0.7879 Intermediate Similarity NPD2556 Approved
0.7867 Intermediate Similarity NPD6677 Suspended
0.7847 Intermediate Similarity NPD1416 Approved
0.7786 Intermediate Similarity NPD856 Approved
0.7786 Intermediate Similarity NPD318 Approved
0.7786 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD16 Approved
0.7786 Intermediate Similarity NPD317 Approved
0.7778 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD2684 Approved
0.7778 Intermediate Similarity NPD3685 Discontinued
0.777 Intermediate Similarity NPD2236 Approved
0.777 Intermediate Similarity NPD2676 Approved
0.777 Intermediate Similarity NPD2675 Approved
0.7763 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD1422 Approved
0.7755 Intermediate Similarity NPD6087 Phase 1
0.7724 Intermediate Similarity NPD3060 Approved
0.7724 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD5745 Approved
0.771 Intermediate Similarity NPD3596 Phase 2
0.7707 Intermediate Similarity NPD2215 Approved
0.7707 Intermediate Similarity NPD2216 Approved
0.7704 Intermediate Similarity NPD2231 Phase 2
0.7704 Intermediate Similarity NPD2561 Approved
0.7704 Intermediate Similarity NPD2235 Phase 2
0.7704 Intermediate Similarity NPD2562 Approved
0.7703 Intermediate Similarity NPD4662 Approved
0.7703 Intermediate Similarity NPD4661 Approved
0.7697 Intermediate Similarity NPD5722 Discontinued
0.7697 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3152 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD593 Approved
0.7692 Intermediate Similarity NPD595 Approved
0.7669 Intermediate Similarity NPD3049 Approved
0.7652 Intermediate Similarity NPD1103 Approved
0.7652 Intermediate Similarity NPD1102 Approved
0.7647 Intermediate Similarity NPD6582 Phase 2
0.7647 Intermediate Similarity NPD5772 Approved
0.7647 Intermediate Similarity NPD5773 Approved
0.7647 Intermediate Similarity NPD6583 Phase 3
0.7632 Intermediate Similarity NPD6072 Discontinued
0.7632 Intermediate Similarity NPD2541 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD2649 Approved
0.7616 Intermediate Similarity NPD2651 Approved
0.7615 Intermediate Similarity NPD592 Approved
0.7615 Intermediate Similarity NPD594 Approved
0.7606 Intermediate Similarity NPD1341 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD4237 Approved
0.7603 Intermediate Similarity NPD4236 Phase 3
0.7584 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD1771 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD5746 Approved
0.7568 Intermediate Similarity NPD3122 Phase 3
0.7559 Intermediate Similarity NPD290 Approved
0.7554 Intermediate Similarity NPD4993 Discontinued
0.755 Intermediate Similarity NPD3687 Approved
0.755 Intermediate Similarity NPD3686 Approved
0.7538 Intermediate Similarity NPD7843 Approved
0.7533 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD597 Approved
0.7518 Intermediate Similarity NPD598 Approved
0.7518 Intermediate Similarity NPD601 Approved
0.7517 Intermediate Similarity NPD1725 Approved
0.7516 Intermediate Similarity NPD4666 Phase 3
0.75 Intermediate Similarity NPD8031 Discontinued
0.75 Intermediate Similarity NPD3552 Approved
0.75 Intermediate Similarity NPD3555 Approved
0.75 Intermediate Similarity NPD3553 Approved
0.75 Intermediate Similarity NPD3554 Approved
0.7482 Intermediate Similarity NPD3690 Phase 2
0.7482 Intermediate Similarity NPD558 Phase 2
0.7482 Intermediate Similarity NPD3691 Phase 2
0.7482 Intermediate Similarity NPD6584 Phase 3
0.7465 Intermediate Similarity NPD840 Approved
0.7465 Intermediate Similarity NPD1136 Approved
0.7465 Intermediate Similarity NPD1130 Approved
0.7465 Intermediate Similarity NPD1132 Approved
0.7465 Intermediate Similarity NPD839 Approved
0.7463 Intermediate Similarity NPD6580 Approved
0.7463 Intermediate Similarity NPD6581 Approved
0.7452 Intermediate Similarity NPD5709 Phase 3
0.745 Intermediate Similarity NPD5756 Phase 2
0.7431 Intermediate Similarity NPD2223 Approved
0.7431 Intermediate Similarity NPD2224 Approved
0.7419 Intermediate Similarity NPD2977 Approved
0.7419 Intermediate Similarity NPD2978 Approved
0.741 Intermediate Similarity NPD1129 Approved
0.741 Intermediate Similarity NPD1131 Approved
0.741 Intermediate Similarity NPD1133 Approved
0.741 Intermediate Similarity NPD1135 Approved
0.741 Intermediate Similarity NPD1134 Approved
0.7407 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD2161 Phase 2
0.7394 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD1048 Approved
0.7389 Intermediate Similarity NPD8070 Approved
0.7383 Intermediate Similarity NPD3692 Discontinued
0.7376 Intermediate Similarity NPD600 Approved
0.7376 Intermediate Similarity NPD596 Approved
0.7368 Intermediate Similarity NPD7157 Approved
0.7368 Intermediate Similarity NPD2557 Approved
0.7368 Intermediate Similarity NPD7131 Phase 3
0.7358 Intermediate Similarity NPD7485 Phase 3
0.7358 Intermediate Similarity NPD7484 Phase 3
0.7353 Intermediate Similarity NPD2667 Approved
0.7353 Intermediate Similarity NPD2668 Approved
0.7351 Intermediate Similarity NPD2504 Approved
0.7351 Intermediate Similarity NPD2505 Approved
0.7343 Intermediate Similarity NPD7477 Discontinued
0.7343 Intermediate Similarity NPD2245 Discovery
0.7342 Intermediate Similarity NPD6315 Phase 2
0.7338 Intermediate Similarity NPD4179 Approved
0.7338 Intermediate Similarity NPD4180 Approved
0.7333 Intermediate Similarity NPD316 Approved
0.7333 Intermediate Similarity NPD5295 Discontinued
0.7329 Intermediate Similarity NPD2661 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD3154 Approved
0.7305 Intermediate Similarity NPD1712 Approved
0.7305 Intermediate Similarity NPD455 Discontinued
0.7305 Intermediate Similarity NPD3153 Approved
0.7297 Intermediate Similarity NPD1391 Approved
0.7279 Intermediate Similarity NPD6032 Approved
0.7279 Intermediate Similarity NPD3156 Discontinued
0.7267 Intermediate Similarity NPD5241 Discontinued
0.7266 Intermediate Similarity NPD6542 Approved
0.7266 Intermediate Similarity NPD6543 Approved
0.7266 Intermediate Similarity NPD6540 Phase 3
0.7266 Intermediate Similarity NPD6539 Approved
0.7261 Intermediate Similarity NPD3556 Approved
0.7261 Intermediate Similarity NPD3560 Approved
0.7261 Intermediate Similarity NPD3559 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD3558 Approved
0.7261 Intermediate Similarity NPD3557 Approved
0.7259 Intermediate Similarity NPD9616 Approved
0.7259 Intermediate Similarity NPD9613 Approved
0.7259 Intermediate Similarity NPD9615 Approved
0.7254 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD776 Approved
0.7244 Intermediate Similarity NPD5356 Approved
0.7244 Intermediate Similarity NPD5355 Approved

Structure

External Identifiers

PubChem CID   2249
ChEMBL   CHEMBL24
ZINC  

Physicochemical Properties

Molecular Weight:  266.16
ALogP:  -1.0566
MLogP:  2.45
XLogP:  1.812
# Rotatable Bonds:  12
Polar Surface Area:  85.57
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  19

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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