Natural Product: NPC254541

Natural Product ID:  NPC254541
Common Name:   Ala-Lys
IUPAC Name:   (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid
Synonyms:   Ala-Lys
Molecular Formula:   C9H19N3O3
Standard InCHIKey:  QXRNAOYBCYVZCD-BQBZGAKWSA-N
Standard InCHI:  InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
Canonical SMILES:  NCCCC[C@@H](C(=O)O)N=C([C@@H](N)C)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
NPO30702 Calanus helgolandicus Species Calanidae Eukaryota PMID[25518943]
NPO30702 Calanus helgolandicus Species Calanidae Eukaryota PMID[26364855]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ki = 210000 nM 15974593
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens EC50 = 220000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens IC50 = 280000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ratio = 540 16759105
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 23000 nM 21741846
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 22908.68 nM 21741846
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ki = 117000 nM 7495840
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 11000 nM 7495840

  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 NPC254541 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
0.9815 High Similarity NPC176164
0.9815 High Similarity NPC189301
0.9636 High Similarity NPC320598
0.8621 High Similarity NPC327748
0.8621 High Similarity NPC316826
0.8621 High Similarity NPC321468
0.8621 High Similarity NPC317143
0.8596 High Similarity NPC278209
0.8475 Intermediate Similarity NPC327170
0.8475 Intermediate Similarity NPC329564
0.8421 Intermediate Similarity NPC38463
0.8333 Intermediate Similarity NPC112890
0.8333 Intermediate Similarity NPC324825
0.8333 Intermediate Similarity NPC316231
0.8305 Intermediate Similarity NPC321536
0.8276 Intermediate Similarity NPC318260
0.8276 Intermediate Similarity NPC317147
0.8182 Intermediate Similarity NPC315897
0.8167 Intermediate Similarity NPC143722
0.8103 Intermediate Similarity NPC325985
0.807 Intermediate Similarity NPC321118
0.807 Intermediate Similarity NPC316889
0.7931 Intermediate Similarity NPC322573
0.7895 Intermediate Similarity NPC197087
0.7895 Intermediate Similarity NPC190184
0.7778 Intermediate Similarity NPC315744
0.7778 Intermediate Similarity NPC297220
0.7656 Intermediate Similarity NPC174304
0.7656 Intermediate Similarity NPC325597
0.7593 Intermediate Similarity NPC327698
0.7593 Intermediate Similarity NPC118459
0.75 Intermediate Similarity NPC140872
0.75 Intermediate Similarity NPC57420
0.75 Intermediate Similarity NPC289691
0.75 Intermediate Similarity NPC93081
0.7458 Intermediate Similarity NPC183845
0.7458 Intermediate Similarity NPC279661
0.7414 Intermediate Similarity NPC322946
0.7407 Intermediate Similarity NPC323974
0.7385 Intermediate Similarity NPC278881
0.7368 Intermediate Similarity NPC328378
0.7333 Intermediate Similarity NPC327831
0.7313 Intermediate Similarity NPC319046
0.7302 Intermediate Similarity NPC321419
0.7273 Intermediate Similarity NPC470108
0.7246 Intermediate Similarity NPC328457
0.7241 Intermediate Similarity NPC50457
0.7206 Intermediate Similarity NPC126779
0.7193 Intermediate Similarity NPC153370
0.7164 Intermediate Similarity NPC470109
0.7143 Intermediate Similarity NPC268927
0.7143 Intermediate Similarity NPC276928
0.7143 Intermediate Similarity NPC64250
0.7077 Intermediate Similarity NPC327252
0.7069 Intermediate Similarity NPC62045
0.7069 Intermediate Similarity NPC43204
0.7069 Intermediate Similarity NPC174246
0.7069 Intermediate Similarity NPC162620
0.7069 Intermediate Similarity NPC226027
0.7069 Intermediate Similarity NPC84636
0.7069 Intermediate Similarity NPC245027
0.7059 Intermediate Similarity NPC470110
0.7031 Intermediate Similarity NPC68974
0.7 Intermediate Similarity NPC263065
0.7 Intermediate Similarity NPC189178
0.6949 Remote Similarity NPC329181
0.6949 Remote Similarity NPC319110
0.6923 Remote Similarity NPC477644
0.6901 Remote Similarity NPC55274
0.6852 Remote Similarity NPC326992
0.6852 Remote Similarity NPC168375
0.6852 Remote Similarity NPC121517
0.6833 Remote Similarity NPC19576
0.6833 Remote Similarity NPC29950
0.6721 Remote Similarity NPC329495
0.6714 Remote Similarity NPC133183
0.6714 Remote Similarity NPC472579
0.6667 Remote Similarity NPC137958
0.6667 Remote Similarity NPC118429
0.6667 Remote Similarity NPC329263
0.6667 Remote Similarity NPC327239
0.6667 Remote Similarity NPC273330
0.6667 Remote Similarity NPC37681
0.6667 Remote Similarity NPC319175
0.6623 Remote Similarity NPC314466
0.662 Remote Similarity NPC477642
0.662 Remote Similarity NPC478256
0.6607 Remote Similarity NPC167986
0.6607 Remote Similarity NPC291186
0.6607 Remote Similarity NPC276294
0.6575 Remote Similarity NPC476248
0.6557 Remote Similarity NPC155512
0.6508 Remote Similarity NPC2801
0.6491 Remote Similarity NPC126925
0.6491 Remote Similarity NPC132307
0.6491 Remote Similarity NPC325097
0.6471 Remote Similarity NPC103130
0.6471 Remote Similarity NPC226453
0.6471 Remote Similarity NPC145658
0.6462 Remote Similarity NPC11433
0.6462 Remote Similarity NPC245346
0.6462 Remote Similarity NPC302003
0.6438 Remote Similarity NPC477643
0.6438 Remote Similarity NPC477641
0.6438 Remote Similarity NPC320865
0.6429 Remote Similarity NPC118524
0.6429 Remote Similarity NPC60424
0.6429 Remote Similarity NPC314221
0.6393 Remote Similarity NPC125736
0.6364 Remote Similarity NPC476537
0.6364 Remote Similarity NPC216415
0.6338 Remote Similarity NPC107224
0.6333 Remote Similarity NPC227850
0.6296 Remote Similarity NPC69179
0.6286 Remote Similarity NPC327985
0.625 Remote Similarity NPC474299
0.625 Remote Similarity NPC15864
0.625 Remote Similarity NPC474298
0.625 Remote Similarity NPC28348
0.625 Remote Similarity NPC473985
0.625 Remote Similarity NPC322274
0.625 Remote Similarity NPC475808
0.625 Remote Similarity NPC66043
0.625 Remote Similarity NPC53449
0.6234 Remote Similarity NPC191774
0.6234 Remote Similarity NPC316242
0.6212 Remote Similarity NPC190385
0.6212 Remote Similarity NPC319279
0.6207 Remote Similarity NPC198301
0.6197 Remote Similarity NPC188231
0.6197 Remote Similarity NPC222327
0.6176 Remote Similarity NPC314510
0.6167 Remote Similarity NPC101249
0.6167 Remote Similarity NPC136159
0.6154 Remote Similarity NPC315535
0.6154 Remote Similarity NPC478017
0.6154 Remote Similarity NPC315131
0.6136 Remote Similarity NPC117829
0.6133 Remote Similarity NPC43219
0.6125 Remote Similarity NPC53858
0.6125 Remote Similarity NPC84128
0.6111 Remote Similarity NPC81647
0.6111 Remote Similarity NPC272614
0.6111 Remote Similarity NPC116709
0.6111 Remote Similarity NPC21290
0.6076 Remote Similarity NPC157173
0.6071 Remote Similarity NPC327250
0.6066 Remote Similarity NPC87359
0.6066 Remote Similarity NPC180402
0.6056 Remote Similarity NPC325534
0.6053 Remote Similarity NPC86064
0.6053 Remote Similarity NPC327272
0.6032 Remote Similarity NPC471131
0.6029 Remote Similarity NPC177191
0.6 Remote Similarity NPC49952
0.6 Remote Similarity NPC248970
0.6 Remote Similarity NPC185084
0.6 Remote Similarity NPC136476
0.6 Remote Similarity NPC306238
0.5968 Remote Similarity NPC270805
0.5968 Remote Similarity NPC152451
0.5968 Remote Similarity NPC193989
0.5968 Remote Similarity NPC80350
0.5968 Remote Similarity NPC93888
0.5968 Remote Similarity NPC170739
0.5965 Remote Similarity NPC237525
0.5965 Remote Similarity NPC326212
0.5946 Remote Similarity NPC476285
0.5946 Remote Similarity NPC476291
0.5942 Remote Similarity NPC302188
0.5938 Remote Similarity NPC474322
0.5921 Remote Similarity NPC320221
0.5915 Remote Similarity NPC262615
0.5915 Remote Similarity NPC41429
0.5915 Remote Similarity NPC472609
0.5897 Remote Similarity NPC472594
0.5897 Remote Similarity NPC59867
0.5893 Remote Similarity NPC18188
0.5882 Remote Similarity NPC473599
0.5882 Remote Similarity NPC325734
0.5873 Remote Similarity NPC315977
0.5867 Remote Similarity NPC306973
0.5857 Remote Similarity NPC105297
0.5846 Remote Similarity NPC270041
0.5846 Remote Similarity NPC60672
0.5846 Remote Similarity NPC322091
0.5833 Remote Similarity NPC287693
0.5833 Remote Similarity NPC208793
0.5833 Remote Similarity NPC285322
0.5806 Remote Similarity NPC96966
0.5806 Remote Similarity NPC121062
0.5806 Remote Similarity NPC29222
0.5789 Remote Similarity NPC141325
0.5783 Remote Similarity NPC145748
0.5783 Remote Similarity NPC472351
0.5783 Remote Similarity NPC95478
0.5783 Remote Similarity NPC199072
0.5783 Remote Similarity NPC155670
0.5781 Remote Similarity NPC200550
0.5781 Remote Similarity NPC155156

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC254541 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
0.8448 Intermediate Similarity NPD9433 Approved
0.8333 Intermediate Similarity NPD9016 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD9044 Approved
0.8182 Intermediate Similarity NPD6944 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1825 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD9451 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD8785 Approved
0.7692 Intermediate Similarity NPD886 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1429 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD348 Approved
0.75 Intermediate Similarity NPD8809 Approved
0.75 Intermediate Similarity NPD8808 Approved
0.75 Intermediate Similarity NPD2262 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD9441 Phase 2
0.7407 Intermediate Similarity NPD9019 Approved
0.7391 Intermediate Similarity NPD1147 Phase 2
0.7313 Intermediate Similarity NPD337 Discontinued
0.7313 Intermediate Similarity NPD4241 Registered
0.7206 Intermediate Similarity NPD4242 Approved
0.7193 Intermediate Similarity NPD8614 Approved
0.7188 Intermediate Similarity NPD574 Approved
0.7077 Intermediate Similarity NPD575 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD9018 Approved
0.7069 Intermediate Similarity NPD9017 Approved
0.7042 Intermediate Similarity NPD366 Approved
0.7 Intermediate Similarity NPD9205 Approved
0.7 Intermediate Similarity NPD9204 Approved
0.6935 Remote Similarity NPD9454 Approved
0.6833 Remote Similarity NPD8846 Approved
0.6833 Remote Similarity NPD61 Approved
0.6833 Remote Similarity NPD8847 Approved
0.6818 Remote Similarity NPD9676 Phase 3
0.6667 Remote Similarity NPD2263 Discontinued
0.6667 Remote Similarity NPD8871 Approved
0.6667 Remote Similarity NPD9014 Approved
0.6667 Remote Similarity NPD8872 Phase 3
0.6667 Remote Similarity NPD4829 Discontinued
0.6667 Remote Similarity NPD9233 Phase 3
0.6667 Remote Similarity NPD9231 Phase 3
0.6667 Remote Similarity NPD9232 Phase 2
0.6607 Remote Similarity NPD8804 Approved
0.6607 Remote Similarity NPD8805 Approved
0.6491 Remote Similarity NPD8798 Approved
0.6479 Remote Similarity NPD3724 Clinical (unspecified phase)
0.6471 Remote Similarity NPD9047 Approved
0.6471 Remote Similarity NPD9048 Approved
0.6471 Remote Similarity NPD9046 Phase 3
0.6471 Remote Similarity NPD9045 Approved
0.6462 Remote Similarity NPD8865 Approved
0.6452 Remote Similarity NPD8851 Phase 1
0.6447 Remote Similarity NPD3160 Suspended
0.6438 Remote Similarity NPD2256 Clinical (unspecified phase)
0.6429 Remote Similarity NPD9421 Phase 1
0.6406 Remote Similarity NPD8979 Approved
0.6406 Remote Similarity NPD8981 Clinical (unspecified phase)
0.6406 Remote Similarity NPD8980 Approved
0.6393 Remote Similarity NPD329 Discontinued
0.6379 Remote Similarity NPD9658 Clinical (unspecified phase)
0.6349 Remote Similarity NPD9419 Clinical (unspecified phase)
0.6333 Remote Similarity NPD362 Phase 1
0.625 Remote Similarity NPD620 Approved
0.625 Remote Similarity NPD7643 Phase 1
0.6235 Remote Similarity NPD4261 Phase 1
0.6234 Remote Similarity NPD4278 Clinical (unspecified phase)
0.6212 Remote Similarity NPD9439 Approved
0.6212 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6212 Remote Similarity NPD9438 Approved
0.6207 Remote Similarity NPD573 Clinical (unspecified phase)
0.6197 Remote Similarity NPD8842 Clinical (unspecified phase)
0.6173 Remote Similarity NPD3733 Clinical (unspecified phase)
0.6167 Remote Similarity NPD8867 Approved
0.6167 Remote Similarity NPD379 Clinical (unspecified phase)
0.6167 Remote Similarity NPD8866 Approved
0.6163 Remote Similarity NPD1749 Approved
0.6163 Remote Similarity NPD6699 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7918 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7917 Clinical (unspecified phase)
0.6125 Remote Similarity NPD1125 Discovery
0.6111 Remote Similarity NPD8211 Approved
0.6111 Remote Similarity NPD8210 Phase 3
0.6111 Remote Similarity NPD9452 Clinical (unspecified phase)
0.6094 Remote Similarity NPD631 Approved
0.6094 Remote Similarity NPD630 Approved
0.6081 Remote Similarity NPD5382 Phase 2
0.6056 Remote Similarity NPD8952 Approved
0.6053 Remote Similarity NPD632 Discontinued
0.6024 Remote Similarity NPD7760 Phase 2
0.6024 Remote Similarity NPD7759 Phase 2
0.6 Remote Similarity NPD842 Phase 3
0.6 Remote Similarity NPD8801 Approved
0.6 Remote Similarity NPD8870 Approved
0.5968 Remote Similarity NPD8802 Approved
0.5968 Remote Similarity NPD8803 Clinical (unspecified phase)
0.5968 Remote Similarity NPD9021 Approved
0.5968 Remote Similarity NPD8946 Approved
0.5968 Remote Similarity NPD8624 Approved
0.5968 Remote Similarity NPD8947 Approved
0.5952 Remote Similarity NPD3176 Clinical (unspecified phase)
0.5949 Remote Similarity NPD617 Approved
0.5942 Remote Similarity NPD9656 Approved
0.5926 Remote Similarity NPD2683 Discontinued
0.5921 Remote Similarity NPD9217 Clinical (unspecified phase)
0.5915 Remote Similarity NPD6438 Approved
0.5915 Remote Similarity NPD6437 Approved
0.5902 Remote Similarity NPD8850 Approved
0.5893 Remote Similarity NPD8623 Phase 1
0.5889 Remote Similarity NPD6428 Approved
0.5867 Remote Similarity NPD9446 Approved
0.5843 Remote Similarity NPD8394 Approved
0.5833 Remote Similarity NPD8610 Approved
0.5833 Remote Similarity NPD9201 Clinical (unspecified phase)
0.5821 Remote Similarity NPD9425 Approved
0.5806 Remote Similarity NPD9213 Approved
0.5806 Remote Similarity NPD9214 Phase 3
0.5797 Remote Similarity NPD1155 Discontinued
0.5783 Remote Similarity NPD326 Approved
0.5761 Remote Similarity NPD4825 Clinical (unspecified phase)
0.5758 Remote Similarity NPD1830 Clinical (unspecified phase)
0.5758 Remote Similarity NPD8971 Approved
0.5753 Remote Similarity NPD375 Phase 2
0.5753 Remote Similarity NPD8868 Approved
0.5747 Remote Similarity NPD3716 Discontinued
0.5738 Remote Similarity NPD8982 Approved
0.5738 Remote Similarity NPD1152 Phase 2
0.5733 Remote Similarity NPD2220 Clinical (unspecified phase)
0.5732 Remote Similarity NPD1448 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9230 Discontinued
0.5692 Remote Similarity NPD9420 Clinical (unspecified phase)
0.5692 Remote Similarity NPD3215 Phase 1
0.5676 Remote Similarity NPD322 Phase 1
0.5667 Remote Similarity NPD8869 Approved
0.5645 Remote Similarity NPD8972 Approved
0.5645 Remote Similarity NPD8973 Approved
0.5645 Remote Similarity NPD3211 Approved
0.5645 Remote Similarity NPD8810 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3214 Discontinued

Structure

External Identifiers

PubChem CID   7016106
ChEMBL   CHEMBL191057
ZINC  

Physicochemical Properties

Molecular Weight:  217.14
ALogP:  -2.9365
MLogP:  1.79
XLogP:  -3.071
# Rotatable Bonds:  12
Polar Surface Area:  121.93
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  15

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Similar NPs/Drugs