Natural Product: NPC322274

Natural Product ID:  NPC322274
Common Name:   Ap
IUPAC Name:   (2S)-1-[(2S)-2-azaniumylpropanoyl]pyrrolidine-2-carboxylate
Synonyms:  
Molecular Formula:   C8H14N2O3
Standard InCHIKey:  WPWUFUBLGADILS-WDSKDSINSA-N
Standard InCHI:  InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
Canonical SMILES:  OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]

  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 = 150000 nM 14667225
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 42000 nM 3005569
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 229086.77 nM 8360884
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 110000 nM 2913292
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens Ki = 50000 nM 10.1016/S0960-894X(00)80669-1
NPT4898 Individual Protein Tripeptidyl aminopeptidase Rattus norvegicus Ki = 1400000 nM 10691692
NPT276 Individual Protein Angiotensin-converting enzyme Oryctolagus cuniculus Ki = 50000 nM 2995664
NPT276 Individual Protein Angiotensin-converting enzyme Oryctolagus cuniculus Ki = 30000 nM 2995664
NPT276 Individual Protein Angiotensin-converting enzyme Oryctolagus cuniculus IC50 = 270000 nM 21621881
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 12000 nM 21741846
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 12022.64 nM 21741846
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Activity = 8 % 7896779

  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 NPC322274 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
0.9524 High Similarity NPC287693
0.9265 High Similarity NPC327272
0.9118 High Similarity NPC320221
0.8125 Intermediate Similarity NPC11433
0.8125 Intermediate Similarity NPC302003
0.8125 Intermediate Similarity NPC245346
0.7619 Intermediate Similarity NPC274499
0.7619 Intermediate Similarity NPC8488
0.7619 Intermediate Similarity NPC333075
0.7324 Intermediate Similarity NPC84182
0.7324 Intermediate Similarity NPC128005
0.7273 Intermediate Similarity NPC59867
0.7222 Intermediate Similarity NPC221764
0.7222 Intermediate Similarity NPC135539
0.7222 Intermediate Similarity NPC196359
0.7222 Intermediate Similarity NPC78312
0.7183 Intermediate Similarity NPC160661
0.7164 Intermediate Similarity NPC278209
0.7105 Intermediate Similarity NPC209156
0.7105 Intermediate Similarity NPC266888
0.7105 Intermediate Similarity NPC161774
0.7105 Intermediate Similarity NPC256312
0.7067 Intermediate Similarity NPC76297
0.7067 Intermediate Similarity NPC196007
0.7067 Intermediate Similarity NPC214532
0.7027 Intermediate Similarity NPC15864
0.6984 Remote Similarity NPC93081
0.6984 Remote Similarity NPC140872
0.6914 Remote Similarity NPC475542
0.6901 Remote Similarity NPC243964
0.68 Remote Similarity NPC133183
0.6778 Remote Similarity NPC117829
0.6761 Remote Similarity NPC118429
0.6753 Remote Similarity NPC29326
0.6714 Remote Similarity NPC268927
0.6714 Remote Similarity NPC276928
0.6714 Remote Similarity NPC64250
0.6667 Remote Similarity NPC312315
0.6667 Remote Similarity NPC126186
0.6627 Remote Similarity NPC53858
0.6627 Remote Similarity NPC84128
0.6623 Remote Similarity NPC470781
0.6575 Remote Similarity NPC103130
0.6575 Remote Similarity NPC226453
0.6517 Remote Similarity NPC474576
0.6508 Remote Similarity NPC327698
0.6508 Remote Similarity NPC118459
0.6506 Remote Similarity NPC470783
0.6444 Remote Similarity NPC471098
0.6444 Remote Similarity NPC173763
0.6444 Remote Similarity NPC62263
0.6404 Remote Similarity NPC475801
0.6404 Remote Similarity NPC474593
0.64 Remote Similarity NPC327985
0.6389 Remote Similarity NPC177191
0.6364 Remote Similarity NPC112890
0.6364 Remote Similarity NPC316231
0.6364 Remote Similarity NPC324825
0.6338 Remote Similarity NPC176164
0.6338 Remote Similarity NPC189301
0.6322 Remote Similarity NPC90476
0.6322 Remote Similarity NPC69374
0.6296 Remote Similarity NPC470782
0.6292 Remote Similarity NPC275715
0.6292 Remote Similarity NPC322966
0.6265 Remote Similarity NPC31756
0.625 Remote Similarity NPC254541
0.6232 Remote Similarity NPC279661
0.6232 Remote Similarity NPC183845
0.6203 Remote Similarity NPC328457
0.619 Remote Similarity NPC276294
0.619 Remote Similarity NPC476137
0.619 Remote Similarity NPC476243
0.619 Remote Similarity NPC476156
0.619 Remote Similarity NPC476117
0.617 Remote Similarity NPC473597
0.6154 Remote Similarity NPC476019
0.6133 Remote Similarity NPC57420
0.6119 Remote Similarity NPC43204
0.6119 Remote Similarity NPC84636
0.6119 Remote Similarity NPC226027
0.6119 Remote Similarity NPC162620
0.6119 Remote Similarity NPC174246
0.6119 Remote Similarity NPC62045
0.6119 Remote Similarity NPC245027
0.6118 Remote Similarity NPC476302
0.6094 Remote Similarity NPC198301
0.6061 Remote Similarity NPC128303
0.6056 Remote Similarity NPC38463
0.6042 Remote Similarity NPC475440
0.6027 Remote Similarity NPC327748
0.6027 Remote Similarity NPC320598
0.6027 Remote Similarity NPC317143
0.6027 Remote Similarity NPC321468
0.6027 Remote Similarity NPC316826
0.6026 Remote Similarity NPC107224
0.6022 Remote Similarity NPC301010
0.6 Remote Similarity NPC241394
0.5978 Remote Similarity NPC477538
0.5974 Remote Similarity NPC325534
0.5972 Remote Similarity NPC318260
0.5972 Remote Similarity NPC317147
0.5957 Remote Similarity NPC280066
0.5955 Remote Similarity NPC469363
0.5946 Remote Similarity NPC329564
0.5946 Remote Similarity NPC327170
0.5942 Remote Similarity NPC155156
0.5942 Remote Similarity NPC200550
0.593 Remote Similarity NPC23984
0.5921 Remote Similarity NPC315744
0.5909 Remote Similarity NPC472351
0.59 Remote Similarity NPC323720
0.5882 Remote Similarity NPC17244
0.5876 Remote Similarity NPC220234
0.5873 Remote Similarity NPC326992
0.5873 Remote Similarity NPC168375
0.5873 Remote Similarity NPC121517
0.5867 Remote Similarity NPC314510
0.5859 Remote Similarity NPC471097
0.5859 Remote Similarity NPC475149
0.5857 Remote Similarity NPC190184
0.5857 Remote Similarity NPC197087
0.5844 Remote Similarity NPC207247
0.5844 Remote Similarity NPC475397
0.5844 Remote Similarity NPC473528
0.5844 Remote Similarity NPC474907
0.5844 Remote Similarity NPC278881
0.5844 Remote Similarity NPC472609
0.5833 Remote Similarity NPC325985
0.5821 Remote Similarity NPC101249
0.5816 Remote Similarity NPC13175
0.5816 Remote Similarity NPC475791
0.5811 Remote Similarity NPC321536
0.5797 Remote Similarity NPC137958
0.5797 Remote Similarity NPC273330
0.5795 Remote Similarity NPC235078
0.5789 Remote Similarity NPC313265
0.578 Remote Similarity NPC469899
0.5778 Remote Similarity NPC477539
0.5775 Remote Similarity NPC272396
0.5758 Remote Similarity NPC329263
0.5733 Remote Similarity NPC143722
0.5732 Remote Similarity NPC185084
0.5729 Remote Similarity NPC40663
0.5714 Remote Similarity NPC475758
0.57 Remote Similarity NPC5864
0.57 Remote Similarity NPC124554
0.57 Remote Similarity NPC301148
0.5694 Remote Similarity NPC322573
0.5694 Remote Similarity NPC2801
0.5692 Remote Similarity NPC291186
0.5692 Remote Similarity NPC167986
0.5686 Remote Similarity NPC475637
0.5663 Remote Similarity NPC178919
0.5663 Remote Similarity NPC263281
0.5644 Remote Similarity NPC198344
0.5625 Remote Similarity NPC81647
0.5606 Remote Similarity NPC126925
0.5606 Remote Similarity NPC325097
0.5606 Remote Similarity NPC132307
0.5606 Remote Similarity NPC323974
0.56 Remote Similarity NPC188785

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC322274 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
0.8125 Intermediate Similarity NPD8865 Approved
0.7887 Intermediate Similarity NPD9649 Approved
0.7887 Intermediate Similarity NPD2220 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1125 Discovery
0.75 Intermediate Similarity NPD2682 Approved
0.75 Intermediate Similarity NPD4261 Phase 1
0.7317 Intermediate Similarity NPD7759 Phase 2
0.7317 Intermediate Similarity NPD7760 Phase 2
0.7222 Intermediate Similarity NPD8868 Approved
0.7143 Intermediate Similarity NPD3177 Phase 3
0.7 Intermediate Similarity NPD3715 Approved
0.7 Intermediate Similarity NPD3713 Approved
0.7 Intermediate Similarity NPD3714 Approved
0.6984 Remote Similarity NPD8808 Approved
0.6984 Remote Similarity NPD8809 Approved
0.6914 Remote Similarity NPD7762 Phase 2
0.6914 Remote Similarity NPD7763 Phase 2
0.6912 Remote Similarity NPD9425 Approved
0.6867 Remote Similarity NPD9577 Approved
0.6829 Remote Similarity NPD2683 Discontinued
0.6761 Remote Similarity NPD9014 Approved
0.6714 Remote Similarity NPD9671 Phase 2
0.6714 Remote Similarity NPD9670 Phase 2
0.663 Remote Similarity NPD8038 Phase 2
0.6579 Remote Similarity NPD620 Approved
0.6575 Remote Similarity NPD9046 Phase 3
0.6575 Remote Similarity NPD9048 Approved
0.6575 Remote Similarity NPD9047 Approved
0.6575 Remote Similarity NPD9045 Approved
0.6533 Remote Similarity NPD9231 Phase 3
0.6533 Remote Similarity NPD9232 Phase 2
0.6533 Remote Similarity NPD9233 Phase 3
0.6522 Remote Similarity NPD1456 Approved
0.6463 Remote Similarity NPD617 Approved
0.6447 Remote Similarity NPD322 Phase 1
0.6364 Remote Similarity NPD9044 Approved
0.6364 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6338 Remote Similarity NPD8784 Clinical (unspecified phase)
0.6316 Remote Similarity NPD9666 Clinical (unspecified phase)
0.6316 Remote Similarity NPD9665 Clinical (unspecified phase)
0.625 Remote Similarity NPD378 Phase 3
0.6237 Remote Similarity NPD7841 Clinical (unspecified phase)
0.6234 Remote Similarity NPD9451 Clinical (unspecified phase)
0.617 Remote Similarity NPD1784 Approved
0.6119 Remote Similarity NPD9017 Approved
0.6119 Remote Similarity NPD9018 Approved
0.6119 Remote Similarity NPD8950 Approved
0.6111 Remote Similarity NPD9433 Approved
0.6056 Remote Similarity NPD8981 Clinical (unspecified phase)
0.6056 Remote Similarity NPD4281 Clinical (unspecified phase)
0.6056 Remote Similarity NPD8980 Approved
0.6056 Remote Similarity NPD8979 Approved
0.6049 Remote Similarity NPD366 Approved
0.6023 Remote Similarity NPD9401 Discovery
0.6 Remote Similarity NPD9578 Clinical (unspecified phase)
0.5979 Remote Similarity NPD6120 Clinical (unspecified phase)
0.5977 Remote Similarity NPD614 Discontinued
0.5974 Remote Similarity NPD8952 Approved
0.5955 Remote Similarity NPD3723 Clinical (unspecified phase)
0.5889 Remote Similarity NPD3176 Clinical (unspecified phase)
0.5882 Remote Similarity NPD9230 Discontinued
0.587 Remote Similarity NPD1782 Approved
0.5857 Remote Similarity NPD8785 Approved
0.5821 Remote Similarity NPD8867 Approved
0.5821 Remote Similarity NPD8866 Approved
0.5806 Remote Similarity NPD4780 Clinical (unspecified phase)
0.58 Remote Similarity NPD6122 Discontinued
0.5797 Remote Similarity NPD8872 Phase 3
0.5797 Remote Similarity NPD8871 Approved
0.5732 Remote Similarity NPD266 Phase 3
0.5732 Remote Similarity NPD265 Phase 3
0.5714 Remote Similarity NPD4825 Clinical (unspecified phase)
0.5692 Remote Similarity NPD8805 Approved
0.5692 Remote Similarity NPD8804 Approved
0.5663 Remote Similarity NPD9217 Clinical (unspecified phase)
0.5647 Remote Similarity NPD9199 Approved
0.5647 Remote Similarity NPD9389 Approved
0.5638 Remote Similarity NPD5792 Clinical (unspecified phase)
0.5634 Remote Similarity NPD8851 Phase 1
0.5616 Remote Similarity NPD8864 Clinical (unspecified phase)
0.561 Remote Similarity NPD5382 Phase 2
0.5606 Remote Similarity NPD9019 Approved
0.5606 Remote Similarity NPD8798 Approved
0.56 Remote Similarity NPD8951 Approved

Structure

External Identifiers

PubChem CID   11892823;83525
ChEMBL   CHEMBL414828
ZINC  

Physicochemical Properties

Molecular Weight:  186.10
ALogP:  -2.4518
MLogP:  1.79
XLogP:  -2.901
# Rotatable Bonds:  6
Polar Surface Area:  83.63
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  13

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