Natural Product: NPC323974

Natural Product ID:  NPC323974
Common Name:   Aminocaproic Acid
IUPAC Name:   6-azaniumylhexanoate
Synonyms:   177 J.D; 177 J.D.; Amicar; Aminocaproic; Aminocaproic Acid; CL-10304; CY-116; EACA; Epsikapron; epsilon-Aminocaproic Acid
Molecular Formula:   C6H13NO2
Standard InCHIKey:  SLXKOJJOQWFEFD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Canonical SMILES:  NCCCCCC(=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 blood Wu A (2006) Tietz clinical guide to laboratory tests, 4th ed. WB Saunders, St. Louis.

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ki = 50000 nM 1619617
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 1258.9 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 145.8 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 44668.4 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency = 398.1 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 10000 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 5 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 6309.6 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 129.9 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 1683.4 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 2511.9 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 19011.5 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 2591.8 nM PubChem BioAssay data set
NPT813 Individual Protein GABA transporter 1 Mus musculus Activity = 80.8 % 21353350
NPT815 Individual Protein GABA transporter 3 Mus musculus Activity = 55.8 % 21353350
NPT816 Individual Protein GABA transporter 4 Mus musculus Activity = 70.9 % 21353350
NPT2 Others Unspecified Activity = 65.1 % 21353350
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 422.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3661.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1412.5 nM PubChem BioAssay data set
NPT1006 Individual Protein Proton-coupled amino acid transporter 1 Homo sapiens Ki = 35000000 nM 21955456
NPT10 Individual Protein Geminin Homo sapiens Potency 206 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10583.9 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 125892.5 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 338.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21117.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5073.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5741.3 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 2238.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3755.3 nM PubChem BioAssay data set
NPT1720 Individual Protein Plasminogen Homo sapiens IC50 = 105000 nM 24900876
NPT1720 Individual Protein Plasminogen Homo sapiens IC50 = 40000 nM 24900876
NPT2 Others Unspecified AC50 290 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 316.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 31622.8 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 NPC323974 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
0.8889 High Similarity NPC112890
0.8889 High Similarity NPC316231
0.8889 High Similarity NPC324825
0.881 High Similarity NPC276294
0.8696 High Similarity NPC50457
0.8163 Intermediate Similarity NPC279661
0.8163 Intermediate Similarity NPC183845
0.8 Intermediate Similarity NPC327698
0.8 Intermediate Similarity NPC118459
0.7872 Intermediate Similarity NPC140872
0.7872 Intermediate Similarity NPC93081
0.7857 Intermediate Similarity NPC18188
0.7692 Intermediate Similarity NPC278209
0.766 Intermediate Similarity NPC101249
0.7547 Intermediate Similarity NPC176164
0.7547 Intermediate Similarity NPC319279
0.7547 Intermediate Similarity NPC189301
0.7407 Intermediate Similarity NPC254541
0.7407 Intermediate Similarity NPC64250
0.7407 Intermediate Similarity NPC320598
0.7407 Intermediate Similarity NPC276928
0.7407 Intermediate Similarity NPC268927
0.74 Intermediate Similarity NPC155512
0.7347 Intermediate Similarity NPC226027
0.7347 Intermediate Similarity NPC43204
0.7347 Intermediate Similarity NPC84636
0.7347 Intermediate Similarity NPC162620
0.7347 Intermediate Similarity NPC62045
0.7347 Intermediate Similarity NPC174246
0.7347 Intermediate Similarity NPC245027
0.7273 Intermediate Similarity NPC68974
0.72 Intermediate Similarity NPC273330
0.72 Intermediate Similarity NPC137958
0.7111 Intermediate Similarity NPC121517
0.7111 Intermediate Similarity NPC326992
0.7111 Intermediate Similarity NPC168375
0.7111 Intermediate Similarity NPC66043
0.7073 Intermediate Similarity NPC18224
0.7073 Intermediate Similarity NPC328710
0.7073 Intermediate Similarity NPC175342
0.6923 Remote Similarity NPC190184
0.6923 Remote Similarity NPC197087
0.6875 Remote Similarity NPC329263
0.6842 Remote Similarity NPC302188
0.6809 Remote Similarity NPC291186
0.6809 Remote Similarity NPC167986
0.678 Remote Similarity NPC278881
0.6744 Remote Similarity NPC317203
0.6667 Remote Similarity NPC132307
0.6667 Remote Similarity NPC2801
0.6667 Remote Similarity NPC325097
0.6667 Remote Similarity NPC126925
0.6667 Remote Similarity NPC114517
0.6607 Remote Similarity NPC11433
0.6607 Remote Similarity NPC302003
0.6607 Remote Similarity NPC245346
0.6591 Remote Similarity NPC155263
0.6591 Remote Similarity NPC134782
0.6557 Remote Similarity NPC60424
0.6557 Remote Similarity NPC222327
0.6557 Remote Similarity NPC188231
0.6557 Remote Similarity NPC314221
0.6545 Remote Similarity NPC38463
0.6545 Remote Similarity NPC325985
0.6471 Remote Similarity NPC327542
0.6452 Remote Similarity NPC107224
0.6444 Remote Similarity NPC109026
0.6444 Remote Similarity NPC252843
0.64 Remote Similarity NPC136476
0.64 Remote Similarity NPC49952
0.6383 Remote Similarity NPC53449
0.6349 Remote Similarity NPC15864
0.6341 Remote Similarity NPC174368
0.6316 Remote Similarity NPC190385
0.6304 Remote Similarity NPC73245
0.6304 Remote Similarity NPC268826
0.6275 Remote Similarity NPC136159
0.6271 Remote Similarity NPC118429
0.6222 Remote Similarity NPC272614
0.6222 Remote Similarity NPC21290
0.6222 Remote Similarity NPC116709
0.6207 Remote Similarity NPC317143
0.6207 Remote Similarity NPC321468
0.6207 Remote Similarity NPC316826
0.6207 Remote Similarity NPC327748
0.6207 Remote Similarity NPC321536
0.62 Remote Similarity NPC208793
0.62 Remote Similarity NPC285322
0.617 Remote Similarity NPC118968
0.617 Remote Similarity NPC214610
0.617 Remote Similarity NPC261080
0.617 Remote Similarity NPC183424
0.617 Remote Similarity NPC301585
0.617 Remote Similarity NPC301696
0.617 Remote Similarity NPC201844
0.617 Remote Similarity NPC294085
0.617 Remote Similarity NPC154186
0.617 Remote Similarity NPC279026
0.617 Remote Similarity NPC113928
0.617 Remote Similarity NPC14227
0.6154 Remote Similarity NPC153370
0.614 Remote Similarity NPC317147
0.614 Remote Similarity NPC318260
0.6111 Remote Similarity NPC202525
0.6102 Remote Similarity NPC329564
0.6102 Remote Similarity NPC143722
0.6102 Remote Similarity NPC327170
0.6087 Remote Similarity NPC63621
0.6078 Remote Similarity NPC309658
0.6071 Remote Similarity NPC322573
0.6066 Remote Similarity NPC103130
0.6066 Remote Similarity NPC226453
0.6061 Remote Similarity NPC315897
0.6061 Remote Similarity NPC185084
0.6042 Remote Similarity NPC326212
0.6042 Remote Similarity NPC237525
0.6038 Remote Similarity NPC193989
0.6038 Remote Similarity NPC152451
0.6038 Remote Similarity NPC270805
0.6038 Remote Similarity NPC170739
0.6038 Remote Similarity NPC93888
0.6 Remote Similarity NPC245768
0.6 Remote Similarity NPC198301
0.5926 Remote Similarity NPC315977
0.5926 Remote Similarity NPC125736
0.5918 Remote Similarity NPC216630
0.5918 Remote Similarity NPC196924
0.5918 Remote Similarity NPC149184
0.5918 Remote Similarity NPC163746
0.5918 Remote Similarity NPC248763
0.5918 Remote Similarity NPC171736
0.5918 Remote Similarity NPC103286
0.5918 Remote Similarity NPC209970
0.5918 Remote Similarity NPC325452
0.5918 Remote Similarity NPC307783
0.5909 Remote Similarity NPC125575
0.5873 Remote Similarity NPC327985
0.587 Remote Similarity NPC9294
0.5818 Remote Similarity NPC322946
0.5818 Remote Similarity NPC155156
0.5818 Remote Similarity NPC200550
0.5806 Remote Similarity NPC88898
0.5806 Remote Similarity NPC57420
0.5806 Remote Similarity NPC315744
0.5806 Remote Similarity NPC289691
0.5806 Remote Similarity NPC106216
0.58 Remote Similarity NPC71317
0.58 Remote Similarity NPC301528
0.58 Remote Similarity NPC289686
0.58 Remote Similarity NPC129972
0.58 Remote Similarity NPC67462
0.5781 Remote Similarity NPC221764
0.5781 Remote Similarity NPC196359
0.5781 Remote Similarity NPC135539
0.5781 Remote Similarity NPC78312
0.5778 Remote Similarity NPC127142
0.5778 Remote Similarity NPC57499
0.5778 Remote Similarity NPC7814
0.5769 Remote Similarity NPC213876
0.5769 Remote Similarity NPC297220
0.5769 Remote Similarity NPC185755
0.5745 Remote Similarity NPC158179
0.5741 Remote Similarity NPC328378
0.5714 Remote Similarity NPC174304
0.5714 Remote Similarity NPC189178
0.5714 Remote Similarity NPC50047
0.5714 Remote Similarity NPC126681
0.5714 Remote Similarity NPC317815
0.5714 Remote Similarity NPC263065
0.5714 Remote Similarity NPC325597
0.5714 Remote Similarity NPC472609
0.5686 Remote Similarity NPC255837
0.5686 Remote Similarity NPC74845
0.5686 Remote Similarity NPC19305
0.566 Remote Similarity NPC181588
0.566 Remote Similarity NPC204364
0.5652 Remote Similarity NPC289344
0.5652 Remote Similarity NPC156630
0.5625 Remote Similarity NPC325534
0.5625 Remote Similarity NPC287693
0.5614 Remote Similarity NPC321118
0.5614 Remote Similarity NPC322091
0.5614 Remote Similarity NPC316889
0.5614 Remote Similarity NPC60672
0.561 Remote Similarity NPC149209
0.5606 Remote Similarity NPC133183
0.5606 Remote Similarity NPC322274
0.56 Remote Similarity NPC326808
0.56 Remote Similarity NPC110533
0.56 Remote Similarity NPC226265
0.56 Remote Similarity NPC219143
0.56 Remote Similarity NPC317691
0.56 Remote Similarity NPC254482

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC323974 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 NPD9019 Approved
0.8889 High Similarity NPD9044 Approved
0.8889 High Similarity NPD9016 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD8809 Approved
0.7872 Intermediate Similarity NPD8808 Approved
0.7857 Intermediate Similarity NPD8623 Phase 1
0.7843 Intermediate Similarity NPD9454 Approved
0.766 Intermediate Similarity NPD8866 Approved
0.766 Intermediate Similarity NPD8867 Approved
0.7547 Intermediate Similarity NPD9439 Approved
0.7547 Intermediate Similarity NPD9438 Approved
0.7347 Intermediate Similarity NPD9018 Approved
0.7347 Intermediate Similarity NPD9017 Approved
0.72 Intermediate Similarity NPD8872 Phase 3
0.72 Intermediate Similarity NPD8871 Approved
0.7018 Intermediate Similarity NPD9676 Phase 3
0.6923 Remote Similarity NPD8785 Approved
0.6923 Remote Similarity NPD8851 Phase 1
0.6852 Remote Similarity NPD8979 Approved
0.6852 Remote Similarity NPD8981 Clinical (unspecified phase)
0.6852 Remote Similarity NPD8980 Approved
0.6842 Remote Similarity NPD9656 Approved
0.6809 Remote Similarity NPD8804 Approved
0.6809 Remote Similarity NPD8805 Approved
0.6667 Remote Similarity NPD8798 Approved
0.6667 Remote Similarity NPD8971 Approved
0.6667 Remote Similarity NPD9201 Clinical (unspecified phase)
0.6607 Remote Similarity NPD8865 Approved
0.66 Remote Similarity NPD8972 Approved
0.66 Remote Similarity NPD8973 Approved
0.66 Remote Similarity NPD8850 Approved
0.6557 Remote Similarity NPD9421 Phase 1
0.6481 Remote Similarity NPD630 Approved
0.6481 Remote Similarity NPD631 Approved
0.6452 Remote Similarity NPD9451 Clinical (unspecified phase)
0.6346 Remote Similarity NPD8946 Approved
0.6346 Remote Similarity NPD8947 Approved
0.6327 Remote Similarity NPD9062 Phase 2
0.6316 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6316 Remote Similarity NPD9433 Approved
0.629 Remote Similarity NPD375 Phase 2
0.6271 Remote Similarity NPD9014 Approved
0.6222 Remote Similarity NPD8211 Approved
0.6222 Remote Similarity NPD8210 Phase 3
0.62 Remote Similarity NPD8610 Approved
0.617 Remote Similarity NPD9448 Phase 2
0.617 Remote Similarity NPD9655 Approved
0.617 Remote Similarity NPD633 Phase 3
0.6154 Remote Similarity NPD8614 Approved
0.6078 Remote Similarity NPD8801 Approved
0.6066 Remote Similarity NPD9047 Approved
0.6066 Remote Similarity NPD9048 Approved
0.6066 Remote Similarity NPD9045 Approved
0.6066 Remote Similarity NPD9046 Phase 3
0.6061 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6944 Clinical (unspecified phase)
0.6038 Remote Similarity NPD8802 Approved
0.6038 Remote Similarity NPD9021 Approved
0.6038 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6038 Remote Similarity NPD8624 Approved
0.597 Remote Similarity NPD9217 Clinical (unspecified phase)
0.5918 Remote Similarity NPD2270 Approved
0.5882 Remote Similarity NPD632 Discontinued
0.5818 Remote Similarity NPD9441 Phase 2
0.5781 Remote Similarity NPD9233 Phase 3
0.5781 Remote Similarity NPD9232 Phase 2
0.5781 Remote Similarity NPD8868 Approved
0.5781 Remote Similarity NPD9231 Phase 3
0.5778 Remote Similarity NPD8857 Approved
0.5769 Remote Similarity NPD8982 Approved
0.5714 Remote Similarity NPD9204 Approved
0.5714 Remote Similarity NPD9205 Approved
0.5714 Remote Similarity NPD7371 Approved
0.5714 Remote Similarity NPD348 Approved
0.5714 Remote Similarity NPD8849 Clinical (unspecified phase)
0.566 Remote Similarity NPD8810 Clinical (unspecified phase)
0.5625 Remote Similarity NPD8952 Approved
0.56 Remote Similarity NPD8214 Approved
0.56 Remote Similarity NPD8217 Clinical (unspecified phase)
0.56 Remote Similarity NPD8216 Approved
0.56 Remote Similarity NPD8215 Approved
0.56 Remote Similarity NPD8609 Approved

Structure

External Identifiers

PubChem CID   517030;564
ChEMBL   CHEMBL1046
ZINC  

Physicochemical Properties

Molecular Weight:  131.09
ALogP:  -1.8073
MLogP:  1.79
XLogP:  0.048
# Rotatable Bonds:  7
Polar Surface Area:  63.32
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  9

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs