Natural Product: NPC313981

Natural Product ID:  NPC313981
Common Name:   Baclofen
IUPAC Name:   4-amino-3-(4-chlorophenyl)butanoic acid
Synonyms:   BA-34647; Baclofen; Baclospas-10; Gablofen; Kemstro; Lioresal; Lioresal Intrath; Lyflex
Molecular Formula:   C10H12ClNO2
Standard InCHIKey:  KPYSYYIEGFHWSV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Canonical SMILES:  NCC(c1ccc(cc1)Cl)CC(=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
NPO7856.3 Streptomyces halstedii atcc 55794 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ED50 > 600 mg/kg 2724304
NPT32 Organism Mus musculus Mus musculus TD50 = 47 mg/kg 2724304
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.197 ug/ml 2724304
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.13 ug/ml 2724304
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.162 ug/ml 2724304
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.097 ug/ml 2724304
NPT997 Protein Complex GABA-B receptor Homo sapiens IC50 = 35 nM 7650684
NPT805 Protein Complex GABA-A receptor; anion channel Rattus norvegicus IC50 = 1047000 nM 7650684
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 107 nM 7650684
NPT29 Organism Rattus norvegicus Rattus norvegicus EC50 = 24 uM/kg 7650684
NPT29 Organism Rattus norvegicus Rattus norvegicus EC50 = 52 uM/kg 7650684
NPT805 Protein Complex GABA-A receptor; anion channel Rattus norvegicus IC50 = 30 nM 2995665
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 60 nM 2995665
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 1800 nM 2995665
NPT1774 Protein Family Sodium channel alpha subunits; brain (Types I, II, III) Homo sapiens Inhibition = 6.2 % 2579237
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 30 nM 10.1016/S0960-894X(01)81218-X
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 200 nM 3031294
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 420 nM 1849996
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 330 nM 1652022
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 180 nM 1652022
NPT995 Protein Complex GABA B receptor Rattus norvegicus IC50 = 200 nM 10.1016/0960-894X(96)00307-1
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 6400 nM 10.1016/0960-894X(96)00307-1
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 75 % 10.1016/0960-894X(96)00307-1
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens IC50 = 50 nM 16250647
NPT32 Organism Mus musculus Mus musculus Activity = 20.24 min 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 35.23 min 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 30.21 m 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 28.48 m 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 30.76 m 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 35.64 m 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 214 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 50 % 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 225 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 234 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 254 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 52 % 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 53 % 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 13.42 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 15.35 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 14.36 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 14.22 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 125.34 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 121.46 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 121.44 s 18693017
NPT32 Organism Mus musculus Mus musculus Activity = 128.56 s 18693017
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = 20.7 % 18788725
NPT2 Others Unspecified Ki = 220 nM 18578471
NPT2 Others Unspecified EC50 = 750 nM 18578471
NPT664 Protein Family Histone deacetylase Homo sapiens Activity = 98 % 19520580
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency = 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 44668.4 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 199.5 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 44668.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 9200 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 580.4 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 756.9 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 6510.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 5358.2 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 9.5 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 16833.6 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 106.2 nM PubChem BioAssay data set
NPT667 Individual Protein Solute carrier family 22 member 8 Rattus norvegicus Activity = 23.2 % 12679720
NPT667 Individual Protein Solute carrier family 22 member 8 Rattus norvegicus Activity = 25.7 % 12358729
NPT899 Protein Complex GABA-A receptor; alpha-1/beta-2/gamma-2 Rattus norvegicus EC50 > 100000 nM 23428109
NPT32 Organism Mus musculus Mus musculus Activity = 26.3 ug 23428109
NPT32 Organism Mus musculus Mus musculus Activity = 8.1 ug 23428109
NPT997 Protein Complex GABA-B receptor Homo sapiens EC50 = 1700 nM 23428109
NPT2 Others Unspecified IC50 = 360 nM 23886812
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 80.8 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 102.22 % 23571415
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 112.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 10 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 98.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 15.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.2 nM PubChem BioAssay data set
NPT997 Protein Complex GABA-B receptor Homo sapiens Ki = 6000 nM 25856547

  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 NPC313981 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
0.8113 Intermediate Similarity NPC122493
0.8113 Intermediate Similarity NPC293628
0.8113 Intermediate Similarity NPC10781
0.7944 Intermediate Similarity NPC324569
0.7627 Intermediate Similarity NPC471318
0.7611 Intermediate Similarity NPC67043
0.7589 Intermediate Similarity NPC164859
0.7391 Intermediate Similarity NPC327481
0.7321 Intermediate Similarity NPC12730
0.7311 Intermediate Similarity NPC474584
0.7308 Intermediate Similarity NPC48909
0.7288 Intermediate Similarity NPC319579
0.7264 Intermediate Similarity NPC322387
0.7255 Intermediate Similarity NPC127343
0.7227 Intermediate Similarity NPC329011
0.7212 Intermediate Similarity NPC44830
0.713 Intermediate Similarity NPC471310
0.7064 Intermediate Similarity NPC274455
0.7064 Intermediate Similarity NPC70940
0.7064 Intermediate Similarity NPC86670
0.7048 Intermediate Similarity NPC285773
0.6992 Remote Similarity NPC197470
0.6937 Remote Similarity NPC323164
0.6935 Remote Similarity NPC188867
0.6935 Remote Similarity NPC106551
0.6935 Remote Similarity NPC281686
0.693 Remote Similarity NPC322598
0.6916 Remote Similarity NPC95965
0.6881 Remote Similarity NPC329064
0.6838 Remote Similarity NPC291426
0.6807 Remote Similarity NPC274089
0.6807 Remote Similarity NPC191215
0.6788 Remote Similarity NPC316906
0.678 Remote Similarity NPC324786
0.6777 Remote Similarity NPC216122
0.6777 Remote Similarity NPC158854
0.6774 Remote Similarity NPC113099
0.6772 Remote Similarity NPC239697
0.6727 Remote Similarity NPC325441
0.6719 Remote Similarity NPC478016
0.6719 Remote Similarity NPC478014
0.6719 Remote Similarity NPC478015
0.6696 Remote Similarity NPC86987
0.6695 Remote Similarity NPC471317
0.6693 Remote Similarity NPC317784
0.6693 Remote Similarity NPC314992
0.6693 Remote Similarity NPC142638
0.6692 Remote Similarity NPC35996
0.6667 Remote Similarity NPC326079
0.6667 Remote Similarity NPC2265
0.6667 Remote Similarity NPC172925
0.6607 Remote Similarity NPC258627
0.6589 Remote Similarity NPC80150
0.6583 Remote Similarity NPC476198
0.6579 Remote Similarity NPC246757
0.6579 Remote Similarity NPC291070
0.6574 Remote Similarity NPC288903
0.6562 Remote Similarity NPC310467
0.6552 Remote Similarity NPC477767
0.6549 Remote Similarity NPC317645
0.6541 Remote Similarity NPC477937
0.6525 Remote Similarity NPC128248
0.6525 Remote Similarity NPC136810
0.6525 Remote Similarity NPC264728
0.6525 Remote Similarity NPC225079
0.6525 Remote Similarity NPC133809
0.6522 Remote Similarity NPC215351
0.6522 Remote Similarity NPC20142
0.6489 Remote Similarity NPC27581
0.6484 Remote Similarity NPC169328
0.6471 Remote Similarity NPC304873
0.6466 Remote Similarity NPC261947
0.6462 Remote Similarity NPC190663
0.646 Remote Similarity NPC316108
0.646 Remote Similarity NPC84288
0.6455 Remote Similarity NPC294134
0.6417 Remote Similarity NPC329556
0.6404 Remote Similarity NPC110704
0.6373 Remote Similarity NPC229235
0.637 Remote Similarity NPC58827
0.637 Remote Similarity NPC307437
0.637 Remote Similarity NPC72473
0.6364 Remote Similarity NPC84281
0.6364 Remote Similarity NPC169485
0.6364 Remote Similarity NPC160493
0.6364 Remote Similarity NPC317474
0.6364 Remote Similarity NPC291027
0.6364 Remote Similarity NPC329282
0.6364 Remote Similarity NPC213126
0.6356 Remote Similarity NPC290515
0.6356 Remote Similarity NPC271475
0.6356 Remote Similarity NPC164514
0.6356 Remote Similarity NPC120393
0.6356 Remote Similarity NPC108606
0.6356 Remote Similarity NPC226096
0.6356 Remote Similarity NPC229242
0.6356 Remote Similarity NPC303611
0.6333 Remote Similarity NPC475978
0.6333 Remote Similarity NPC474820
0.6328 Remote Similarity NPC188010
0.6325 Remote Similarity NPC469893
0.6324 Remote Similarity NPC16031
0.6324 Remote Similarity NPC161593
0.6324 Remote Similarity NPC145888
0.6311 Remote Similarity NPC474559
0.6311 Remote Similarity NPC155429
0.6308 Remote Similarity NPC229353
0.6303 Remote Similarity NPC217621
0.6296 Remote Similarity NPC192623
0.6296 Remote Similarity NPC309279
0.6294 Remote Similarity NPC57976
0.6286 Remote Similarity NPC276699
0.6283 Remote Similarity NPC12429
0.6283 Remote Similarity NPC477693
0.6283 Remote Similarity NPC477704
0.6281 Remote Similarity NPC255676
0.6281 Remote Similarity NPC202613
0.6277 Remote Similarity NPC325651
0.6273 Remote Similarity NPC270507
0.6271 Remote Similarity NPC469892
0.6271 Remote Similarity NPC226041
0.6271 Remote Similarity NPC469891
0.6271 Remote Similarity NPC469890
0.6269 Remote Similarity NPC317758
0.6261 Remote Similarity NPC226438
0.6261 Remote Similarity NPC187725
0.6261 Remote Similarity NPC141607
0.626 Remote Similarity NPC94751
0.626 Remote Similarity NPC142326
0.626 Remote Similarity NPC244933
0.626 Remote Similarity NPC85560
0.626 Remote Similarity NPC319950
0.625 Remote Similarity NPC94487
0.6239 Remote Similarity NPC161972
0.6239 Remote Similarity NPC303045
0.6231 Remote Similarity NPC476440
0.623 Remote Similarity NPC19136
0.6228 Remote Similarity NPC9822
0.6228 Remote Similarity NPC470877
0.6218 Remote Similarity NPC160548
0.6218 Remote Similarity NPC175852
0.6218 Remote Similarity NPC317280
0.6218 Remote Similarity NPC329387
0.6218 Remote Similarity NPC210529
0.6198 Remote Similarity NPC327226
0.6198 Remote Similarity NPC318154
0.6198 Remote Similarity NPC284477
0.6198 Remote Similarity NPC25458
0.6195 Remote Similarity NPC471638
0.619 Remote Similarity NPC122327
0.619 Remote Similarity NPC113000
0.619 Remote Similarity NPC112609
0.6186 Remote Similarity NPC3371
0.6186 Remote Similarity NPC25565
0.6183 Remote Similarity NPC237420
0.6182 Remote Similarity NPC103387
0.6182 Remote Similarity NPC323103
0.6179 Remote Similarity NPC105899
0.6179 Remote Similarity NPC321670
0.6174 Remote Similarity NPC471307
0.6174 Remote Similarity NPC74936
0.6174 Remote Similarity NPC159178
0.6174 Remote Similarity NPC78041
0.6174 Remote Similarity NPC62765
0.6174 Remote Similarity NPC209764
0.6174 Remote Similarity NPC141139
0.6174 Remote Similarity NPC121872
0.6172 Remote Similarity NPC35850
0.6172 Remote Similarity NPC276949
0.617 Remote Similarity NPC314835
0.6168 Remote Similarity NPC298023
0.6168 Remote Similarity NPC290638
0.6167 Remote Similarity NPC221825
0.6167 Remote Similarity NPC7435
0.6167 Remote Similarity NPC125732
0.6167 Remote Similarity NPC245561
0.6165 Remote Similarity NPC71684
0.6148 Remote Similarity NPC68055
0.6148 Remote Similarity NPC222466
0.6147 Remote Similarity NPC121800
0.6143 Remote Similarity NPC88667
0.6134 Remote Similarity NPC475439
0.6134 Remote Similarity NPC473501
0.6134 Remote Similarity NPC253423
0.6131 Remote Similarity NPC321561
0.6129 Remote Similarity NPC37914
0.6124 Remote Similarity NPC33742
0.6121 Remote Similarity NPC245259
0.6119 Remote Similarity NPC142577
0.6116 Remote Similarity NPC473325
0.6116 Remote Similarity NPC282895
0.6116 Remote Similarity NPC52472
0.6115 Remote Similarity NPC473247
0.6111 Remote Similarity NPC103488
0.6111 Remote Similarity NPC224544
0.6103 Remote Similarity NPC101719
0.6103 Remote Similarity NPC47667
0.6102 Remote Similarity NPC58674
0.6102 Remote Similarity NPC206764
0.6098 Remote Similarity NPC226778

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC313981 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 NPD189 Phase 3
1.0 High Similarity NPD188 Approved
0.8922 High Similarity NPD253 Approved
0.8305 Intermediate Similarity NPD3603 Phase 3
0.8113 Intermediate Similarity NPD9566 Approved
0.7963 Intermediate Similarity NPD3097 Clinical (unspecified phase)
0.7815 Intermediate Similarity NPD2617 Discontinued
0.7559 Intermediate Similarity NPD1974 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD1415 Approved
0.7213 Intermediate Similarity NPD5162 Approved
0.719 Intermediate Similarity NPD747 Discontinued
0.7184 Intermediate Similarity NPD226 Approved
0.7143 Intermediate Similarity NPD3643 Approved
0.7143 Intermediate Similarity NPD3644 Approved
0.7143 Intermediate Similarity NPD3642 Approved
0.7132 Intermediate Similarity NPD3935 Phase 3
0.7107 Intermediate Similarity NPD1373 Approved
0.7107 Intermediate Similarity NPD1374 Approved
0.7107 Intermediate Similarity NPD1371 Approved
0.7107 Intermediate Similarity NPD1370 Approved
0.7107 Intermediate Similarity NPD3598 Phase 3
0.7099 Intermediate Similarity NPD5246 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD168 Phase 1
0.708 Intermediate Similarity NPD167 Phase 2
0.7064 Intermediate Similarity NPD1089 Approved
0.7064 Intermediate Similarity NPD1086 Approved
0.7064 Intermediate Similarity NPD1090 Approved
0.7048 Intermediate Similarity NPD262 Approved
0.7048 Intermediate Similarity NPD263 Approved
0.7048 Intermediate Similarity NPD9491 Approved
0.7015 Intermediate Similarity NPD1228 Phase 2
0.6992 Remote Similarity NPD1348 Approved
0.6972 Remote Similarity NPD800 Approved
0.6972 Remote Similarity NPD5346 Phase 2
0.6972 Remote Similarity NPD5347 Phase 2
0.6944 Remote Similarity NPD4793 Discontinued
0.6942 Remote Similarity NPD9508 Approved
0.6942 Remote Similarity NPD3651 Discontinued
0.6937 Remote Similarity NPD1088 Approved
0.6935 Remote Similarity NPD9568 Approved
0.6929 Remote Similarity NPD3881 Discontinued
0.6912 Remote Similarity NPD2830 Clinical (unspecified phase)
0.6912 Remote Similarity NPD3934 Clinical (unspecified phase)
0.6911 Remote Similarity NPD1023 Approved
0.6911 Remote Similarity NPD1020 Approved
0.6911 Remote Similarity NPD1022 Approved
0.6911 Remote Similarity NPD1021 Approved
0.6905 Remote Similarity NPD1855 Clinical (unspecified phase)
0.6905 Remote Similarity NPD5981 Approved
0.6893 Remote Similarity NPD225 Approved
0.6893 Remote Similarity NPD227 Approved
0.6891 Remote Similarity NPD1401 Approved
0.6875 Remote Similarity NPD5122 Clinical (unspecified phase)
0.687 Remote Similarity NPD523 Approved
0.687 Remote Similarity NPD524 Approved
0.6864 Remote Similarity NPD1040 Phase 2
0.6847 Remote Similarity NPD1239 Approved
0.6846 Remote Similarity NPD2031 Discontinued
0.6842 Remote Similarity NPD1076 Approved
0.6833 Remote Similarity NPD476 Approved
0.6822 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6822 Remote Similarity NPD1077 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4452 Approved
0.6815 Remote Similarity NPD4453 Approved
0.6814 Remote Similarity NPD1693 Approved
0.6812 Remote Similarity NPD1209 Approved
0.6812 Remote Similarity NPD1205 Approved
0.6812 Remote Similarity NPD989 Approved
0.6797 Remote Similarity NPD2956 Clinical (unspecified phase)
0.6789 Remote Similarity NPD1087 Approved
0.6788 Remote Similarity NPD7231 Approved
0.6788 Remote Similarity NPD7230 Approved
0.6777 Remote Similarity NPD1756 Approved
0.6777 Remote Similarity NPD1752 Approved
0.6774 Remote Similarity NPD1075 Approved
0.6774 Remote Similarity NPD1074 Approved
0.6774 Remote Similarity NPD1073 Approved
0.6772 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4069 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4065 Approved
0.6765 Remote Similarity NPD4067 Approved
0.6765 Remote Similarity NPD4066 Approved
0.6765 Remote Similarity NPD4068 Approved
0.6721 Remote Similarity NPD801 Discontinued
0.672 Remote Similarity NPD255 Approved
0.672 Remote Similarity NPD256 Approved
0.6718 Remote Similarity NPD3098 Discontinued
0.6714 Remote Similarity NPD5170 Discontinued
0.6696 Remote Similarity NPD1564 Approved
0.6696 Remote Similarity NPD1566 Phase 3
0.6696 Remote Similarity NPD1565 Approved
0.6693 Remote Similarity NPD2217 Approved
0.6693 Remote Similarity NPD2218 Phase 2
0.6692 Remote Similarity NPD5335 Discontinued
0.6667 Remote Similarity NPD9490 Approved
0.6667 Remote Similarity NPD2657 Approved
0.6667 Remote Similarity NPD688 Clinical (unspecified phase)
0.6641 Remote Similarity NPD182 Clinical (unspecified phase)
0.6641 Remote Similarity NPD6994 Approved
0.6641 Remote Similarity NPD6993 Approved
0.6641 Remote Similarity NPD2371 Approved
0.6614 Remote Similarity NPD828 Approved
0.6607 Remote Similarity NPD3672 Approved
0.6607 Remote Similarity NPD3673 Approved
0.6597 Remote Similarity NPD1553 Approved
0.6594 Remote Similarity NPD1207 Approved
0.6594 Remote Similarity NPD1206 Approved
0.6593 Remote Similarity NPD1070 Approved
0.6593 Remote Similarity NPD1069 Approved
0.6583 Remote Similarity NPD1766 Approved
0.6583 Remote Similarity NPD1018 Approved
0.6583 Remote Similarity NPD1765 Approved
0.6583 Remote Similarity NPD1767 Approved
0.6583 Remote Similarity NPD1761 Approved
0.6583 Remote Similarity NPD1763 Approved
0.6581 Remote Similarity NPD1067 Discontinued
0.6581 Remote Similarity NPD2066 Phase 3
0.656 Remote Similarity NPD2650 Approved
0.656 Remote Similarity NPD2652 Approved
0.6544 Remote Similarity NPD2078 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4879 Approved
0.6538 Remote Similarity NPD1302 Clinical (unspecified phase)
0.6532 Remote Similarity NPD2499 Approved
0.6532 Remote Similarity NPD2500 Approved
0.6529 Remote Similarity NPD448 Clinical (unspecified phase)
0.6529 Remote Similarity NPD449 Clinical (unspecified phase)
0.6525 Remote Similarity NPD7611 Approved
0.6522 Remote Similarity NPD2656 Approved
0.6522 Remote Similarity NPD2655 Approved
0.6515 Remote Similarity NPD4677 Discontinued
0.6491 Remote Similarity NPD1812 Approved
0.6491 Remote Similarity NPD1814 Approved
0.6489 Remote Similarity NPD4761 Approved
0.6489 Remote Similarity NPD4762 Approved
0.6489 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6489 Remote Similarity NPD1703 Clinical (unspecified phase)
0.648 Remote Similarity NPD2607 Approved
0.6471 Remote Similarity NPD9722 Approved
0.6471 Remote Similarity NPD9721 Approved
0.6466 Remote Similarity NPD4382 Clinical (unspecified phase)
0.6466 Remote Similarity NPD196 Phase 1
0.6462 Remote Similarity NPD1320 Phase 1
0.6452 Remote Similarity NPD5927 Discontinued
0.6439 Remote Similarity NPD3072 Approved
0.6439 Remote Similarity NPD3073 Approved
0.6439 Remote Similarity NPD1360 Approved
0.6439 Remote Similarity NPD4878 Approved
0.6439 Remote Similarity NPD3071 Approved
0.6435 Remote Similarity NPD1563 Approved
0.6435 Remote Similarity NPD1066 Discontinued
0.6434 Remote Similarity NPD6093 Discontinued
0.6423 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6418 Remote Similarity NPD6565 Approved
0.6418 Remote Similarity NPD1321 Clinical (unspecified phase)
0.6418 Remote Similarity NPD6563 Approved
0.6418 Remote Similarity NPD6564 Approved
0.6417 Remote Similarity NPD1929 Approved
0.6417 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6417 Remote Similarity NPD1930 Approved
0.6415 Remote Similarity NPD9563 Approved
0.6415 Remote Similarity NPD9564 Approved
0.6415 Remote Similarity NPD79 Approved
0.6406 Remote Similarity NPD4574 Approved
0.6406 Remote Similarity NPD4576 Approved
0.6405 Remote Similarity NPD3790 Phase 2
0.6403 Remote Similarity NPD2863 Approved
0.6393 Remote Similarity NPD467 Phase 1
0.6364 Remote Similarity NPD3974 Phase 2
0.6364 Remote Similarity NPD2609 Approved
0.6364 Remote Similarity NPD2612 Approved
0.6364 Remote Similarity NPD2611 Approved
0.6364 Remote Similarity NPD2608 Approved
0.6364 Remote Similarity NPD2610 Approved
0.6364 Remote Similarity NPD3132 Approved
0.6364 Remote Similarity NPD4215 Approved
0.6364 Remote Similarity NPD4216 Approved
0.6364 Remote Similarity NPD4217 Approved
0.6364 Remote Similarity NPD3131 Approved
0.6364 Remote Similarity NPD4218 Approved
0.6356 Remote Similarity NPD466 Approved
0.6356 Remote Similarity NPD9612 Approved
0.6356 Remote Similarity NPD9609 Approved
0.6356 Remote Similarity NPD9611 Approved
0.6349 Remote Similarity NPD181 Approved
0.6346 Remote Similarity NPD2350 Clinical (unspecified phase)
0.6345 Remote Similarity NPD5166 Discontinued
0.6343 Remote Similarity NPD1574 Approved
0.6341 Remote Similarity NPD9532 Phase 3
0.6336 Remote Similarity NPD4164 Clinical (unspecified phase)
0.6333 Remote Similarity NPD1932 Approved
0.6325 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6324 Remote Similarity NPD1050 Approved
0.6324 Remote Similarity NPD7828 Discontinued
0.6324 Remote Similarity NPD9569 Approved
0.6323 Remote Similarity NPD4532 Approved
0.6312 Remote Similarity NPD4448 Approved
0.6312 Remote Similarity NPD4449 Approved
0.6311 Remote Similarity NPD999 Phase 2
0.6304 Remote Similarity NPD5581 Approved
0.6299 Remote Similarity NPD1681 Approved

Structure

External Identifiers

PubChem CID   2284
ChEMBL   CHEMBL701
ZINC  

Physicochemical Properties

Molecular Weight:  213.06
ALogP:  -0.5051
MLogP:  2.12
XLogP:  1.577
# Rotatable Bonds:  7
Polar Surface Area:  63.32
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  14

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