Natural Product: NPC321118

Natural Product ID:  NPC321118
Common Name:   Val-Val
IUPAC Name:   (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
Synonyms:   Val-Val
Molecular Formula:   C10H20N2O3
Standard InCHIKey:  KRNYOVHEKOBTEF-YUMQZZPRSA-N
Standard InCHI:  InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
Canonical SMILES:  CC([C@@H](C(=O)O)N=C([C@H](C(C)C)N)O)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
NPO30193 Mycoplasma genitalium Species Mycoplasmataceae Bacteria PMID[22817898]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4898 Individual Protein Tripeptidyl aminopeptidase Rattus norvegicus Ki = 1670000 nM 10691692
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens EC50 = 70000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens IC50 = 210000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ratio = 1000 16759105
NPT2 Others Unspecified Inhibition = 15 % 19060912

  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 NPC321118 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 NPC316889
0.9184 High Similarity NPC328378
0.9074 High Similarity NPC321468
0.9074 High Similarity NPC316826
0.9074 High Similarity NPC317143
0.9074 High Similarity NPC327748
0.8909 High Similarity NPC329564
0.8909 High Similarity NPC327170
0.8704 High Similarity NPC318260
0.8704 High Similarity NPC317147
0.8571 High Similarity NPC297220
0.8163 Intermediate Similarity NPC132307
0.8163 Intermediate Similarity NPC126925
0.8163 Intermediate Similarity NPC325097
0.807 Intermediate Similarity NPC254541
0.8 Intermediate Similarity NPC327831
0.7931 Intermediate Similarity NPC321419
0.7895 Intermediate Similarity NPC176164
0.7895 Intermediate Similarity NPC189301
0.7885 Intermediate Similarity NPC153370
0.7857 Intermediate Similarity NPC38463
0.7778 Intermediate Similarity NPC322946
0.7759 Intermediate Similarity NPC321536
0.7759 Intermediate Similarity NPC320598
0.7627 Intermediate Similarity NPC143722
0.7581 Intermediate Similarity NPC470108
0.7551 Intermediate Similarity NPC168375
0.7551 Intermediate Similarity NPC121517
0.7551 Intermediate Similarity NPC326992
0.7544 Intermediate Similarity NPC325985
0.746 Intermediate Similarity NPC470109
0.7424 Intermediate Similarity NPC315897
0.7407 Intermediate Similarity NPC43204
0.7407 Intermediate Similarity NPC245027
0.7407 Intermediate Similarity NPC84636
0.7407 Intermediate Similarity NPC62045
0.7407 Intermediate Similarity NPC226027
0.7407 Intermediate Similarity NPC174246
0.7407 Intermediate Similarity NPC162620
0.7368 Intermediate Similarity NPC322573
0.7347 Intermediate Similarity NPC327250
0.7344 Intermediate Similarity NPC470110
0.7321 Intermediate Similarity NPC190184
0.7321 Intermediate Similarity NPC329495
0.7321 Intermediate Similarity NPC197087
0.7313 Intermediate Similarity NPC476248
0.7273 Intermediate Similarity NPC319175
0.7255 Intermediate Similarity NPC291186
0.7255 Intermediate Similarity NPC167986
0.7231 Intermediate Similarity NPC472579
0.7143 Intermediate Similarity NPC325597
0.7143 Intermediate Similarity NPC174304
0.6984 Remote Similarity NPC289691
0.6981 Remote Similarity NPC118459
0.6981 Remote Similarity NPC329263
0.6981 Remote Similarity NPC327698
0.6964 Remote Similarity NPC125736
0.6939 Remote Similarity NPC69179
0.6909 Remote Similarity NPC227850
0.6863 Remote Similarity NPC53449
0.6863 Remote Similarity NPC66043
0.6833 Remote Similarity NPC278209
0.6818 Remote Similarity NPC319046
0.6792 Remote Similarity NPC198301
0.6735 Remote Similarity NPC272614
0.6735 Remote Similarity NPC21290
0.6735 Remote Similarity NPC116709
0.6727 Remote Similarity NPC136159
0.6719 Remote Similarity NPC315744
0.6716 Remote Similarity NPC314273
0.6716 Remote Similarity NPC193280
0.6716 Remote Similarity NPC126779
0.6622 Remote Similarity NPC314466
0.6618 Remote Similarity NPC478256
0.6618 Remote Similarity NPC476285
0.6618 Remote Similarity NPC476291
0.6607 Remote Similarity NPC87359
0.6607 Remote Similarity NPC140872
0.6607 Remote Similarity NPC93081
0.6607 Remote Similarity NPC180402
0.6562 Remote Similarity NPC327252
0.6545 Remote Similarity NPC49952
0.6545 Remote Similarity NPC306238
0.6545 Remote Similarity NPC136476
0.6545 Remote Similarity NPC248970
0.6538 Remote Similarity NPC237525
0.6538 Remote Similarity NPC326212
0.6522 Remote Similarity NPC328457
0.6491 Remote Similarity NPC316231
0.6491 Remote Similarity NPC152451
0.6491 Remote Similarity NPC80350
0.6491 Remote Similarity NPC270805
0.6491 Remote Similarity NPC324825
0.6491 Remote Similarity NPC193989
0.6491 Remote Similarity NPC170739
0.6491 Remote Similarity NPC112890
0.6491 Remote Similarity NPC93888
0.6452 Remote Similarity NPC190385
0.6441 Remote Similarity NPC263065
0.6441 Remote Similarity NPC189178
0.6438 Remote Similarity NPC37681
0.6429 Remote Similarity NPC141325
0.6406 Remote Similarity NPC314510
0.6406 Remote Similarity NPC477644
0.64 Remote Similarity NPC9294
0.6379 Remote Similarity NPC315977
0.6379 Remote Similarity NPC329181
0.6379 Remote Similarity NPC319110
0.6379 Remote Similarity NPC327239
0.6364 Remote Similarity NPC208793
0.6364 Remote Similarity NPC285322
0.6349 Remote Similarity NPC473599
0.6338 Remote Similarity NPC138435
0.6333 Remote Similarity NPC322091
0.6333 Remote Similarity NPC60672
0.6324 Remote Similarity NPC81647
0.6308 Remote Similarity NPC105297
0.6275 Remote Similarity NPC63621
0.6271 Remote Similarity NPC29950
0.6271 Remote Similarity NPC471131
0.6271 Remote Similarity NPC19576
0.625 Remote Similarity NPC471129
0.625 Remote Similarity NPC177191
0.625 Remote Similarity NPC472595
0.625 Remote Similarity NPC213876
0.625 Remote Similarity NPC185755
0.625 Remote Similarity NPC309658
0.6216 Remote Similarity NPC191774
0.6182 Remote Similarity NPC43264
0.6167 Remote Similarity NPC317815
0.6167 Remote Similarity NPC137327
0.6164 Remote Similarity NPC476130
0.6164 Remote Similarity NPC476324
0.6154 Remote Similarity NPC18188
0.614 Remote Similarity NPC181588
0.614 Remote Similarity NPC204364
0.6122 Remote Similarity NPC260324
0.6119 Remote Similarity NPC128559
0.6119 Remote Similarity NPC41429
0.6111 Remote Similarity NPC43219
0.6104 Remote Similarity NPC84128
0.6104 Remote Similarity NPC53858
0.6102 Remote Similarity NPC273330
0.6102 Remote Similarity NPC137958
0.6087 Remote Similarity NPC250953
0.6081 Remote Similarity NPC472594
0.6027 Remote Similarity NPC86064
0.6027 Remote Similarity NPC327272
0.6 Remote Similarity NPC133183
0.6 Remote Similarity NPC200550
0.6 Remote Similarity NPC155156
0.5976 Remote Similarity NPC320057
0.5972 Remote Similarity NPC55274
0.597 Remote Similarity NPC57420
0.597 Remote Similarity NPC145658
0.5968 Remote Similarity NPC10915
0.5968 Remote Similarity NPC102815
0.5968 Remote Similarity NPC2801
0.5965 Remote Similarity NPC198196
0.5962 Remote Similarity NPC25237
0.5942 Remote Similarity NPC118524
0.5938 Remote Similarity NPC328447
0.5932 Remote Similarity NPC17244
0.5909 Remote Similarity NPC322206
0.5909 Remote Similarity NPC118429
0.5882 Remote Similarity NPC278881
0.5873 Remote Similarity NPC313263
0.5857 Remote Similarity NPC306696
0.5844 Remote Similarity NPC157173
0.5833 Remote Similarity NPC114990
0.5833 Remote Similarity NPC214532
0.5833 Remote Similarity NPC196007
0.5833 Remote Similarity NPC76297
0.5818 Remote Similarity NPC317691
0.5818 Remote Similarity NPC219143
0.5818 Remote Similarity NPC326808
0.5818 Remote Similarity NPC254482
0.5818 Remote Similarity NPC110533
0.5818 Remote Similarity NPC226265
0.5806 Remote Similarity NPC183845
0.5806 Remote Similarity NPC279661
0.58 Remote Similarity NPC328698
0.5789 Remote Similarity NPC316242
0.5775 Remote Similarity NPC474298
0.5775 Remote Similarity NPC475808
0.5775 Remote Similarity NPC473985
0.5775 Remote Similarity NPC28348
0.5775 Remote Similarity NPC474299
0.5738 Remote Similarity NPC202525
0.5735 Remote Similarity NPC226453
0.5735 Remote Similarity NPC103130
0.5714 Remote Similarity NPC315535
0.5714 Remote Similarity NPC478017
0.5714 Remote Similarity NPC276294
0.5714 Remote Similarity NPC315131
0.5696 Remote Similarity NPC246005
0.5694 Remote Similarity NPC477642
0.5692 Remote Similarity NPC11433
0.5692 Remote Similarity NPC245346
0.5692 Remote Similarity NPC302003

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC321118 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
0.8163 Intermediate Similarity NPD8798 Approved
0.7895 Intermediate Similarity NPD9433 Approved
0.7885 Intermediate Similarity NPD8614 Approved
0.7778 Intermediate Similarity NPD9441 Phase 2
0.7424 Intermediate Similarity NPD1825 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD9018 Approved
0.7407 Intermediate Similarity NPD9017 Approved
0.7321 Intermediate Similarity NPD8785 Approved
0.7255 Intermediate Similarity NPD8804 Approved
0.7255 Intermediate Similarity NPD8805 Approved
0.7188 Intermediate Similarity NPD1429 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD886 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD8801 Approved
0.7143 Intermediate Similarity NPD348 Approved
0.6981 Remote Similarity NPD9658 Clinical (unspecified phase)
0.6964 Remote Similarity NPD329 Discontinued
0.6923 Remote Similarity NPD2263 Discontinued
0.6912 Remote Similarity NPD1147 Phase 2
0.6897 Remote Similarity NPD9419 Clinical (unspecified phase)
0.6818 Remote Similarity NPD337 Discontinued
0.6818 Remote Similarity NPD4241 Registered
0.6765 Remote Similarity NPD2262 Clinical (unspecified phase)
0.6735 Remote Similarity NPD8211 Approved
0.6735 Remote Similarity NPD8210 Phase 3
0.6727 Remote Similarity NPD379 Clinical (unspecified phase)
0.6716 Remote Similarity NPD4242 Approved
0.6667 Remote Similarity NPD6944 Clinical (unspecified phase)
0.6667 Remote Similarity NPD574 Approved
0.6607 Remote Similarity NPD9214 Phase 3
0.6607 Remote Similarity NPD8809 Approved
0.6607 Remote Similarity NPD9213 Approved
0.6607 Remote Similarity NPD8808 Approved
0.6567 Remote Similarity NPD9452 Clinical (unspecified phase)
0.6567 Remote Similarity NPD9451 Clinical (unspecified phase)
0.6562 Remote Similarity NPD575 Clinical (unspecified phase)
0.6545 Remote Similarity NPD8870 Approved
0.6491 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6491 Remote Similarity NPD8624 Approved
0.6491 Remote Similarity NPD8802 Approved
0.6491 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6491 Remote Similarity NPD9044 Approved
0.6491 Remote Similarity NPD9021 Approved
0.6471 Remote Similarity NPD3724 Clinical (unspecified phase)
0.6452 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6447 Remote Similarity NPD7643 Phase 1
0.6447 Remote Similarity NPD4829 Discontinued
0.6441 Remote Similarity NPD9204 Approved
0.6441 Remote Similarity NPD9205 Approved
0.6441 Remote Similarity NPD9420 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3733 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8610 Approved
0.6338 Remote Similarity NPD366 Approved
0.6271 Remote Similarity NPD8846 Approved
0.6271 Remote Similarity NPD8847 Approved
0.6271 Remote Similarity NPD61 Approved
0.625 Remote Similarity NPD8982 Approved
0.6216 Remote Similarity NPD4278 Clinical (unspecified phase)
0.6182 Remote Similarity NPD8869 Approved
0.6154 Remote Similarity NPD8623 Phase 1
0.614 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8980 Approved
0.6129 Remote Similarity NPD8981 Clinical (unspecified phase)
0.6129 Remote Similarity NPD9454 Approved
0.6129 Remote Similarity NPD8979 Approved
0.6102 Remote Similarity NPD8872 Phase 3
0.6102 Remote Similarity NPD8871 Approved
0.6061 Remote Similarity NPD9676 Phase 3
0.6034 Remote Similarity NPD362 Phase 1
0.6032 Remote Similarity NPD9425 Approved
0.6 Remote Similarity NPD7760 Phase 2
0.6 Remote Similarity NPD7759 Phase 2
0.6 Remote Similarity NPD620 Approved
0.597 Remote Similarity NPD364 Discontinued
0.5968 Remote Similarity NPD1830 Clinical (unspecified phase)
0.5965 Remote Similarity NPD9020 Approved
0.5942 Remote Similarity NPD9231 Phase 3
0.5942 Remote Similarity NPD9233 Phase 3
0.5942 Remote Similarity NPD9232 Phase 2
0.5938 Remote Similarity NPD9661 Approved
0.5932 Remote Similarity NPD8946 Approved
0.5932 Remote Similarity NPD9230 Discontinued
0.5932 Remote Similarity NPD8947 Approved
0.5909 Remote Similarity NPD9014 Approved
0.5902 Remote Similarity NPD8849 Clinical (unspecified phase)
0.5902 Remote Similarity NPD8851 Phase 1
0.5897 Remote Similarity NPD1125 Discovery
0.5867 Remote Similarity NPD2689 Clinical (unspecified phase)
0.5862 Remote Similarity NPD8850 Approved
0.5818 Remote Similarity NPD8214 Approved
0.5818 Remote Similarity NPD8216 Approved
0.5818 Remote Similarity NPD8609 Approved
0.5818 Remote Similarity NPD8217 Clinical (unspecified phase)
0.5818 Remote Similarity NPD8215 Approved
0.5789 Remote Similarity NPD397 Phase 2
0.5775 Remote Similarity NPD1815 Discontinued
0.5763 Remote Similarity NPD8873 Approved
0.5735 Remote Similarity NPD9045 Approved
0.5735 Remote Similarity NPD9047 Approved
0.5735 Remote Similarity NPD1151 Approved
0.5735 Remote Similarity NPD9046 Phase 3
0.5735 Remote Similarity NPD9048 Approved
0.5733 Remote Similarity NPD1453 Phase 1
0.5732 Remote Similarity NPD3176 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8842 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7917 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7918 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8794 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8613 Approved
0.5714 Remote Similarity NPD9421 Phase 1
0.5692 Remote Similarity NPD8865 Approved
0.5667 Remote Similarity NPD2265 Approved
0.5667 Remote Similarity NPD2264 Approved
0.5652 Remote Similarity NPD6438 Approved
0.5652 Remote Similarity NPD6437 Approved
0.5645 Remote Similarity NPD9386 Approved
0.5632 Remote Similarity NPD573 Clinical (unspecified phase)
0.5616 Remote Similarity NPD5382 Phase 2
0.5614 Remote Similarity NPD9019 Approved
0.5606 Remote Similarity NPD9670 Phase 2
0.5606 Remote Similarity NPD9671 Phase 2

Structure

External Identifiers

PubChem CID   107475;6997289
ChEMBL   CHEMBL54552
ZINC  

Physicochemical Properties

Molecular Weight:  216.15
ALogP:  -0.2397
MLogP:  2.01
XLogP:  -1.636
# Rotatable Bonds:  12
Polar Surface Area:  95.91
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  15

Download Data

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