Natural Product: NPC245027

Natural Product ID:  NPC245027
Common Name:   Leucine
IUPAC Name:   (2S)-2-azaniumyl-4-methylpentanoate
Synonyms:   E641; L-Leucine; Leucine
Molecular Formula:   C6H13NO2
Standard InCHIKey:  ROHFNLRQFUQHCH-YFKPBYRVSA-N
Standard InCHI:  InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Canonical SMILES:  N[C@H](C(=O)O)CC(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
NPO8881 Centipeda minima Species Asteraceae Eukaryota TM-MC*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO523 Tussilago farfara Species Asteraceae Eukaryota TM-MC*
NPO15124 Herba sedi sarmentosi NA NA NA TCMID*
NPO3933 Lilium hansonii Species Liliaceae Eukaryota UNPD*
NPO15485 Shorea uliginosa Species Dipterocarpaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19309105]
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23940645]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[18502700]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[8798704]
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[24206068]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO8992 Strychnos diplotricha Species Loganiaceae Eukaryota UNPD*
NPO16585 Sonchus microcarpus Species Asteraceae Eukaryota UNPD*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO9249 Jujubae fructus NA NA NA TCMSP*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota TM-MC*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 5000000 nM 12729634
NPT2 Others Unspecified Kd = 20 nM 17687333
NPT1149 Individual Protein Phospholipase A-2-activating protein Homo sapiens IC50 > 5000 nM 20031422
NPT802 Individual Protein Alkaline phosphatase, tissue-nonspecific isozyme Homo sapiens IC50 > 5000 nM 20031422
NPT801 Individual Protein Intestinal alkaline phosphatase Homo sapiens IC50 > 5000 nM 20031422
NPT1006 Individual Protein Proton-coupled amino acid transporter 1 Homo sapiens Ki = 100000000 nM 21955456
NPT113 Cell Line RAW264.7 Mus musculus Activity = 90 % 23324083
NPT2 Others Unspecified Inhibition = 90 % 23324083
NPT2 Others Unspecified Activity = 80 % 23324083
NPT2 Others Unspecified Inhibition = 72 % 23324083
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 12100 nM 23324083
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 11200 nM 23324083
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 10500 nM 23324083
NPT19 Organism Escherichia coli Escherichia coli MIC = 6250 nM 23324083
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 6250 nM 23324083
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 6200 nM 23324083
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 6100 nM 23324083
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 3100 nM 23324083
NPT20 Organism Candida albicans Candida albicans MIC = 3100 nM 23324083
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC = 3000 nM 23324083
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 1560 nM 23324083
NPT1155 Organism Sporothrix schenckii Sporothrix schenckii MIC = 1560 nM 23324083
NPT1157 Individual Protein L-type amino acid transporter 1 Homo sapiens Inhibition = 78 % 27106710
NPT1157 Individual Protein L-type amino acid transporter 1 Homo sapiens Activity = 3.5 fmol/min 27106710

  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 NPC245027 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 NPC162620
1.0 High Similarity NPC62045
0.9565 High Similarity NPC43204
0.9565 High Similarity NPC174246
0.9565 High Similarity NPC226027
0.9565 High Similarity NPC84636
0.9111 High Similarity NPC118459
0.9111 High Similarity NPC327698
0.8889 High Similarity NPC325097
0.8889 High Similarity NPC126925
0.8889 High Similarity NPC132307
0.8333 Intermediate Similarity NPC327748
0.8333 Intermediate Similarity NPC321468
0.8302 Intermediate Similarity NPC317147
0.8222 Intermediate Similarity NPC168375
0.8222 Intermediate Similarity NPC326992
0.8222 Intermediate Similarity NPC121517
0.8182 Intermediate Similarity NPC329564
0.8182 Intermediate Similarity NPC327170
0.8163 Intermediate Similarity NPC93081
0.8163 Intermediate Similarity NPC140872
0.8148 Intermediate Similarity NPC190385
0.8039 Intermediate Similarity NPC322946
0.8 Intermediate Similarity NPC324825
0.8 Intermediate Similarity NPC316826
0.8 Intermediate Similarity NPC316231
0.8 Intermediate Similarity NPC112890
0.8 Intermediate Similarity NPC317143
0.7963 Intermediate Similarity NPC318260
0.7872 Intermediate Similarity NPC167986
0.7872 Intermediate Similarity NPC291186
0.7843 Intermediate Similarity NPC137958
0.7843 Intermediate Similarity NPC273330
0.7647 Intermediate Similarity NPC328378
0.7593 Intermediate Similarity NPC2801
0.7551 Intermediate Similarity NPC329263
0.7547 Intermediate Similarity NPC197087
0.7547 Intermediate Similarity NPC190184
0.75 Intermediate Similarity NPC276294
0.7455 Intermediate Similarity NPC38463
0.7447 Intermediate Similarity NPC53449
0.7447 Intermediate Similarity NPC66043
0.7407 Intermediate Similarity NPC321118
0.7407 Intermediate Similarity NPC316889
0.7407 Intermediate Similarity NPC279661
0.7407 Intermediate Similarity NPC183845
0.7358 Intermediate Similarity NPC155512
0.7347 Intermediate Similarity NPC323974
0.7333 Intermediate Similarity NPC272614
0.7333 Intermediate Similarity NPC21290
0.7333 Intermediate Similarity NPC116709
0.7321 Intermediate Similarity NPC278209
0.7193 Intermediate Similarity NPC176164
0.7193 Intermediate Similarity NPC189301
0.7143 Intermediate Similarity NPC325985
0.7097 Intermediate Similarity NPC188231
0.7097 Intermediate Similarity NPC222327
0.7069 Intermediate Similarity NPC254541
0.7059 Intermediate Similarity NPC136476
0.7059 Intermediate Similarity NPC49952
0.7021 Intermediate Similarity NPC18188
0.7 Intermediate Similarity NPC198301
0.6981 Remote Similarity NPC270805
0.6981 Remote Similarity NPC152451
0.6981 Remote Similarity NPC170739
0.6981 Remote Similarity NPC193989
0.6981 Remote Similarity NPC93888
0.6964 Remote Similarity NPC322573
0.6957 Remote Similarity NPC9294
0.6923 Remote Similarity NPC101249
0.6923 Remote Similarity NPC136159
0.6897 Remote Similarity NPC319279
0.6897 Remote Similarity NPC11433
0.6897 Remote Similarity NPC302003
0.6897 Remote Similarity NPC245346
0.6875 Remote Similarity NPC15864
0.6863 Remote Similarity NPC208793
0.6863 Remote Similarity NPC285322
0.6852 Remote Similarity NPC315977
0.6809 Remote Similarity NPC63621
0.6792 Remote Similarity NPC153370
0.678 Remote Similarity NPC268927
0.678 Remote Similarity NPC276928
0.678 Remote Similarity NPC64250
0.678 Remote Similarity NPC320598
0.678 Remote Similarity NPC321536
0.6735 Remote Similarity NPC237525
0.6735 Remote Similarity NPC326212
0.6731 Remote Similarity NPC297220
0.6731 Remote Similarity NPC309658
0.6667 Remote Similarity NPC68974
0.6667 Remote Similarity NPC143722
0.6618 Remote Similarity NPC327272
0.6607 Remote Similarity NPC263065
0.6607 Remote Similarity NPC189178
0.6607 Remote Similarity NPC317815
0.6604 Remote Similarity NPC204364
0.6567 Remote Similarity NPC315897
0.6557 Remote Similarity NPC118429
0.6545 Remote Similarity NPC125736
0.6545 Remote Similarity NPC50457
0.6508 Remote Similarity NPC50047
0.6458 Remote Similarity NPC252843
0.6429 Remote Similarity NPC200550
0.6429 Remote Similarity NPC155156
0.6415 Remote Similarity NPC198196
0.6415 Remote Similarity NPC185755
0.6415 Remote Similarity NPC213876
0.6406 Remote Similarity NPC470108
0.6379 Remote Similarity NPC102815
0.6364 Remote Similarity NPC472579
0.6349 Remote Similarity NPC106216
0.6349 Remote Similarity NPC103130
0.6349 Remote Similarity NPC88898
0.6349 Remote Similarity NPC226453
0.6349 Remote Similarity NPC289691
0.6327 Remote Similarity NPC325454
0.6327 Remote Similarity NPC38930
0.6308 Remote Similarity NPC470109
0.6308 Remote Similarity NPC314221
0.6308 Remote Similarity NPC60424
0.6296 Remote Similarity NPC181588
0.6275 Remote Similarity NPC226265
0.6275 Remote Similarity NPC326808
0.6275 Remote Similarity NPC219143
0.6275 Remote Similarity NPC254482
0.6275 Remote Similarity NPC110533
0.6275 Remote Similarity NPC317691
0.625 Remote Similarity NPC174304
0.625 Remote Similarity NPC325597
0.625 Remote Similarity NPC278881
0.6212 Remote Similarity NPC470110
0.6207 Remote Similarity NPC60672
0.6207 Remote Similarity NPC322091
0.62 Remote Similarity NPC3531
0.6182 Remote Similarity NPC327542
0.6154 Remote Similarity NPC325534
0.6154 Remote Similarity NPC327985
0.614 Remote Similarity NPC29950
0.614 Remote Similarity NPC19576
0.6119 Remote Similarity NPC322274
0.6119 Remote Similarity NPC133183
0.6102 Remote Similarity NPC327831
0.6087 Remote Similarity NPC280532
0.6061 Remote Similarity NPC135539
0.6061 Remote Similarity NPC221764
0.6061 Remote Similarity NPC118524
0.6061 Remote Similarity NPC196359
0.6061 Remote Similarity NPC78312
0.6032 Remote Similarity NPC302188
0.6 Remote Similarity NPC151140
0.6 Remote Similarity NPC122768
0.6 Remote Similarity NPC174368
0.6 Remote Similarity NPC476248
0.6 Remote Similarity NPC104195
0.6 Remote Similarity NPC61066
0.597 Remote Similarity NPC107224
0.597 Remote Similarity NPC319046
0.5965 Remote Similarity NPC114990
0.5962 Remote Similarity NPC325452
0.5962 Remote Similarity NPC248763
0.5957 Remote Similarity NPC114517
0.5926 Remote Similarity NPC191136
0.5909 Remote Similarity NPC287693
0.5893 Remote Similarity NPC227850
0.5893 Remote Similarity NPC193872
0.5882 Remote Similarity NPC126779
0.5882 Remote Similarity NPC327250
0.5873 Remote Similarity NPC321419
0.5873 Remote Similarity NPC177191
0.5867 Remote Similarity NPC314466
0.5849 Remote Similarity NPC107645
0.5846 Remote Similarity NPC315744
0.5818 Remote Similarity NPC228932
0.5797 Remote Similarity NPC478256
0.5789 Remote Similarity NPC17244
0.5789 Remote Similarity NPC286989
0.5778 Remote Similarity NPC126681
0.5763 Remote Similarity NPC329495
0.5763 Remote Similarity NPC8488
0.5763 Remote Similarity NPC333075
0.5763 Remote Similarity NPC274499
0.5741 Remote Similarity NPC319680
0.5714 Remote Similarity NPC316168
0.5714 Remote Similarity NPC328457
0.5714 Remote Similarity NPC118187
0.5696 Remote Similarity NPC69374
0.5696 Remote Similarity NPC90476
0.5692 Remote Similarity NPC327252
0.569 Remote Similarity NPC319175
0.569 Remote Similarity NPC327239
0.5676 Remote Similarity NPC37681
0.5676 Remote Similarity NPC191774
0.5667 Remote Similarity NPC145235
0.5641 Remote Similarity NPC320936
0.5636 Remote Similarity NPC55023
0.5634 Remote Similarity NPC185084
0.5625 Remote Similarity NPC175342
0.5625 Remote Similarity NPC471129
0.5614 Remote Similarity NPC87359

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC245027 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 NPD9018 Approved
0.9565 High Similarity NPD9017 Approved
0.8889 High Similarity NPD8798 Approved
0.8367 Intermediate Similarity NPD9016 Clinical (unspecified phase)
0.8163 Intermediate Similarity NPD8809 Approved
0.8163 Intermediate Similarity NPD8808 Approved
0.8148 Intermediate Similarity NPD9023 Clinical (unspecified phase)
0.8039 Intermediate Similarity NPD9441 Phase 2
0.8 Intermediate Similarity NPD9044 Approved
0.8 Intermediate Similarity NPD8947 Approved
0.8 Intermediate Similarity NPD8946 Approved
0.7872 Intermediate Similarity NPD8804 Approved
0.7872 Intermediate Similarity NPD8805 Approved
0.7843 Intermediate Similarity NPD8871 Approved
0.7843 Intermediate Similarity NPD8872 Phase 3
0.7778 Intermediate Similarity NPD8981 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD8979 Approved
0.7778 Intermediate Similarity NPD8980 Approved
0.7755 Intermediate Similarity NPD8801 Approved
0.76 Intermediate Similarity NPD8850 Approved
0.7547 Intermediate Similarity NPD8785 Approved
0.7547 Intermediate Similarity NPD8851 Phase 1
0.7455 Intermediate Similarity NPD9454 Approved
0.7347 Intermediate Similarity NPD9019 Approved
0.7333 Intermediate Similarity NPD8210 Phase 3
0.7333 Intermediate Similarity NPD8211 Approved
0.7288 Intermediate Similarity NPD9676 Phase 3
0.7193 Intermediate Similarity NPD9433 Approved
0.7097 Intermediate Similarity NPD9421 Phase 1
0.7021 Intermediate Similarity NPD8623 Phase 1
0.6981 Remote Similarity NPD9021 Approved
0.6981 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6981 Remote Similarity NPD8802 Approved
0.6981 Remote Similarity NPD8624 Approved
0.6923 Remote Similarity NPD8867 Approved
0.6923 Remote Similarity NPD8866 Approved
0.6897 Remote Similarity NPD9438 Approved
0.6897 Remote Similarity NPD8865 Approved
0.6897 Remote Similarity NPD9439 Approved
0.6863 Remote Similarity NPD8610 Approved
0.6792 Remote Similarity NPD8614 Approved
0.6667 Remote Similarity NPD9201 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8971 Approved
0.6607 Remote Similarity NPD9204 Approved
0.6607 Remote Similarity NPD9205 Approved
0.6567 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6557 Remote Similarity NPD9014 Approved
0.6471 Remote Similarity NPD9217 Clinical (unspecified phase)
0.6415 Remote Similarity NPD9020 Approved
0.6415 Remote Similarity NPD8982 Approved
0.6377 Remote Similarity NPD632 Discontinued
0.6349 Remote Similarity NPD9045 Approved
0.6349 Remote Similarity NPD9046 Phase 3
0.6349 Remote Similarity NPD9048 Approved
0.6349 Remote Similarity NPD9047 Approved
0.6324 Remote Similarity NPD1147 Phase 2
0.6316 Remote Similarity NPD8849 Clinical (unspecified phase)
0.6308 Remote Similarity NPD9231 Phase 3
0.6308 Remote Similarity NPD886 Clinical (unspecified phase)
0.6308 Remote Similarity NPD1429 Clinical (unspecified phase)
0.6308 Remote Similarity NPD9233 Phase 3
0.6308 Remote Similarity NPD9232 Phase 2
0.6296 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6296 Remote Similarity NPD8972 Approved
0.6296 Remote Similarity NPD8973 Approved
0.6275 Remote Similarity NPD8215 Approved
0.6275 Remote Similarity NPD8609 Approved
0.6275 Remote Similarity NPD8214 Approved
0.6275 Remote Similarity NPD8217 Clinical (unspecified phase)
0.6275 Remote Similarity NPD8216 Approved
0.625 Remote Similarity NPD348 Approved
0.6212 Remote Similarity NPD9451 Clinical (unspecified phase)
0.62 Remote Similarity NPD77 Approved
0.62 Remote Similarity NPD9450 Approved
0.6182 Remote Similarity NPD8873 Approved
0.6154 Remote Similarity NPD8952 Approved
0.614 Remote Similarity NPD8846 Approved
0.614 Remote Similarity NPD8847 Approved
0.614 Remote Similarity NPD61 Approved
0.6078 Remote Similarity NPD9635 Discontinued
0.6061 Remote Similarity NPD8868 Approved
0.6061 Remote Similarity NPD375 Phase 2
0.6032 Remote Similarity NPD9656 Approved
0.6027 Remote Similarity NPD617 Approved
0.597 Remote Similarity NPD337 Discontinued
0.597 Remote Similarity NPD4241 Registered
0.5965 Remote Similarity NPD9025 Approved
0.5965 Remote Similarity NPD9212 Clinical (unspecified phase)
0.5942 Remote Similarity NPD2262 Clinical (unspecified phase)
0.5882 Remote Similarity NPD4242 Approved
0.5857 Remote Similarity NPD6944 Clinical (unspecified phase)
0.5821 Remote Similarity NPD2263 Discontinued
0.5821 Remote Similarity NPD8842 Clinical (unspecified phase)
0.5789 Remote Similarity NPD9230 Discontinued
0.5781 Remote Similarity NPD574 Approved
0.5778 Remote Similarity NPD7371 Approved
0.5775 Remote Similarity NPD9109 Discontinued
0.5714 Remote Similarity NPD8208 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9447 Approved
0.5714 Remote Similarity NPD7643 Phase 1
0.5714 Remote Similarity NPD8209 Phase 2
0.5692 Remote Similarity NPD575 Clinical (unspecified phase)
0.5676 Remote Similarity NPD4278 Clinical (unspecified phase)
0.5667 Remote Similarity NPD630 Approved
0.5667 Remote Similarity NPD631 Approved
0.5652 Remote Similarity NPD3724 Clinical (unspecified phase)
0.5636 Remote Similarity NPD9658 Clinical (unspecified phase)
0.5614 Remote Similarity NPD9214 Phase 3
0.5614 Remote Similarity NPD9213 Approved
0.5606 Remote Similarity NPD1151 Approved

Structure

External Identifiers

PubChem CID   7045798;6106
ChEMBL   CHEMBL291962
ZINC  

Physicochemical Properties

Molecular Weight:  131.09
ALogP:  -0.3183
MLogP:  1.79
XLogP:  -1.389
# Rotatable Bonds:  7
Polar Surface Area:  63.32
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  9

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs