Natural Product: NPC287693

Natural Product ID:  NPC287693
Common Name:   Glycyl Proline
IUPAC Name:   (2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carboxylate
Synonyms:   Gly-Pro; Glycyl Proline; Glycyl-Proline
Molecular Formula:   C7H12N2O3
Standard InCHIKey:  KZNQNBZMBZJQJO-YFKPBYRVSA-N
Standard InCHI:  InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
Canonical SMILES:  NCC(=O)N1CCC[C@H]1C(=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 cerebrospinal fluid PMID[17031479]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[21388201]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[17031479]

  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 = 300000 nM 14667225
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 446683.59 nM 7629809
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 446683.59 nM 8360884
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ki = 300000 nM 15974593
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens EC50 = 130000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens IC50 = 330000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ratio = 870 16759105
NPT2 Others Unspecified Inhibition < 15 % 19060912
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Activity = 7 % 7896779
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Inhibition = 78 % 9835627
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 24.1 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 9.6 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = -8.4 % 22541068

  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 NPC287693 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 NPC322274
0.8955 High Similarity NPC320221
0.8824 High Similarity NPC327272
0.8226 Intermediate Similarity NPC302003
0.8226 Intermediate Similarity NPC11433
0.8226 Intermediate Similarity NPC245346
0.7705 Intermediate Similarity NPC8488
0.7705 Intermediate Similarity NPC274499
0.7705 Intermediate Similarity NPC333075
0.7333 Intermediate Similarity NPC59867
0.7286 Intermediate Similarity NPC78312
0.7286 Intermediate Similarity NPC221764
0.7286 Intermediate Similarity NPC135539
0.7286 Intermediate Similarity NPC196359
0.7246 Intermediate Similarity NPC160661
0.7206 Intermediate Similarity NPC243964
0.7143 Intermediate Similarity NPC128005
0.7143 Intermediate Similarity NPC84182
0.7083 Intermediate Similarity NPC15864
0.7049 Intermediate Similarity NPC93081
0.7049 Intermediate Similarity NPC140872
0.6962 Remote Similarity NPC475542
0.6933 Remote Similarity NPC266888
0.6933 Remote Similarity NPC209156
0.6933 Remote Similarity NPC161774
0.6933 Remote Similarity NPC256312
0.6892 Remote Similarity NPC196007
0.6892 Remote Similarity NPC76297
0.6892 Remote Similarity NPC214532
0.6812 Remote Similarity NPC118429
0.68 Remote Similarity NPC29326
0.6765 Remote Similarity NPC268927
0.6765 Remote Similarity NPC64250
0.6765 Remote Similarity NPC276928
0.6716 Remote Similarity NPC278209
0.6667 Remote Similarity NPC470781
0.662 Remote Similarity NPC226453
0.662 Remote Similarity NPC103130
0.65 Remote Similarity NPC312315
0.6494 Remote Similarity NPC126186
0.6463 Remote Similarity NPC84128
0.6463 Remote Similarity NPC53858
0.6444 Remote Similarity NPC117829
0.6438 Remote Similarity NPC327985
0.6406 Remote Similarity NPC316231
0.6406 Remote Similarity NPC324825
0.6406 Remote Similarity NPC112890
0.64 Remote Similarity NPC133183
0.6364 Remote Similarity NPC474576
0.6341 Remote Similarity NPC470783
0.6329 Remote Similarity NPC470782
0.6292 Remote Similarity NPC173763
0.6292 Remote Similarity NPC62263
0.6292 Remote Similarity NPC471098
0.629 Remote Similarity NPC118459
0.629 Remote Similarity NPC327698
0.6269 Remote Similarity NPC183845
0.6269 Remote Similarity NPC279661
0.625 Remote Similarity NPC474593
0.625 Remote Similarity NPC475801
0.623 Remote Similarity NPC276294
0.6197 Remote Similarity NPC177191
0.6136 Remote Similarity NPC322966
0.6136 Remote Similarity NPC275715
0.6098 Remote Similarity NPC31756
0.6094 Remote Similarity NPC101249
0.6053 Remote Similarity NPC107224
0.6026 Remote Similarity NPC328457
0.6024 Remote Similarity NPC476117
0.6024 Remote Similarity NPC476243
0.6024 Remote Similarity NPC476156
0.6024 Remote Similarity NPC476137
0.6022 Remote Similarity NPC473597
0.6 Remote Similarity NPC325534
0.6 Remote Similarity NPC476019
0.5977 Remote Similarity NPC69374
0.5977 Remote Similarity NPC90476
0.597 Remote Similarity NPC155156
0.597 Remote Similarity NPC200550
0.5952 Remote Similarity NPC476302
0.5946 Remote Similarity NPC57420
0.5915 Remote Similarity NPC189301
0.5915 Remote Similarity NPC176164
0.5909 Remote Similarity NPC62045
0.5909 Remote Similarity NPC226027
0.5909 Remote Similarity NPC245027
0.5909 Remote Similarity NPC174246
0.5909 Remote Similarity NPC43204
0.5909 Remote Similarity NPC84636
0.5909 Remote Similarity NPC162620
0.5895 Remote Similarity NPC475440
0.5882 Remote Similarity NPC197087
0.5882 Remote Similarity NPC190184
0.5873 Remote Similarity NPC198301
0.5867 Remote Similarity NPC472609
0.5867 Remote Similarity NPC207247
0.5867 Remote Similarity NPC475397
0.5867 Remote Similarity NPC278881
0.5867 Remote Similarity NPC473528
0.5867 Remote Similarity NPC474907
0.5857 Remote Similarity NPC325985
0.5857 Remote Similarity NPC38463
0.5833 Remote Similarity NPC254541
0.5833 Remote Similarity NPC320598
0.5824 Remote Similarity NPC477538
0.5821 Remote Similarity NPC273330
0.5821 Remote Similarity NPC204607
0.5821 Remote Similarity NPC137958
0.5806 Remote Similarity NPC313265
0.5797 Remote Similarity NPC272396
0.5795 Remote Similarity NPC469363
0.5781 Remote Similarity NPC329263
0.5775 Remote Similarity NPC317147
0.5775 Remote Similarity NPC318260
0.5765 Remote Similarity NPC23984
0.5758 Remote Similarity NPC323720
0.5758 Remote Similarity NPC128303
0.575 Remote Similarity NPC185084
0.5747 Remote Similarity NPC472351
0.5729 Remote Similarity NPC220234
0.5714 Remote Similarity NPC322573
0.5714 Remote Similarity NPC471097
0.5714 Remote Similarity NPC475149
0.57 Remote Similarity NPC241394
0.5699 Remote Similarity NPC301010
0.5672 Remote Similarity NPC17244
0.567 Remote Similarity NPC475791
0.567 Remote Similarity NPC13175
0.5645 Remote Similarity NPC121517
0.5645 Remote Similarity NPC168375
0.5645 Remote Similarity NPC326992
0.5638 Remote Similarity NPC280066
0.5632 Remote Similarity NPC235078
0.5625 Remote Similarity NPC323974
0.5618 Remote Similarity NPC477539
0.5616 Remote Similarity NPC327748
0.5616 Remote Similarity NPC321536
0.5616 Remote Similarity NPC316826
0.5616 Remote Similarity NPC321468
0.5616 Remote Similarity NPC317143

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC287693 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
0.8226 Intermediate Similarity NPD8865 Approved
0.7971 Intermediate Similarity NPD2220 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD9649 Approved
0.7532 Intermediate Similarity NPD1125 Discovery
0.7286 Intermediate Similarity NPD8868 Approved
0.716 Intermediate Similarity NPD7759 Phase 2
0.716 Intermediate Similarity NPD7760 Phase 2
0.7143 Intermediate Similarity NPD4261 Phase 1
0.7143 Intermediate Similarity NPD2682 Approved
0.7049 Intermediate Similarity NPD8808 Approved
0.7049 Intermediate Similarity NPD8809 Approved
0.6914 Remote Similarity NPD9577 Approved
0.6812 Remote Similarity NPD9014 Approved
0.6786 Remote Similarity NPD3177 Phase 3
0.675 Remote Similarity NPD7763 Phase 2
0.675 Remote Similarity NPD7762 Phase 2
0.6716 Remote Similarity NPD9425 Approved
0.6667 Remote Similarity NPD3715 Approved
0.6667 Remote Similarity NPD2683 Discontinued
0.6667 Remote Similarity NPD3714 Approved
0.6667 Remote Similarity NPD3713 Approved
0.662 Remote Similarity NPD9048 Approved
0.662 Remote Similarity NPD9045 Approved
0.662 Remote Similarity NPD9046 Phase 3
0.662 Remote Similarity NPD9047 Approved
0.6486 Remote Similarity NPD322 Phase 1
0.6406 Remote Similarity NPD8950 Approved
0.6406 Remote Similarity NPD9044 Approved
0.64 Remote Similarity NPD620 Approved
0.6351 Remote Similarity NPD9231 Phase 3
0.6351 Remote Similarity NPD9232 Phase 2
0.6351 Remote Similarity NPD9233 Phase 3
0.6324 Remote Similarity NPD1456 Approved
0.6304 Remote Similarity NPD8038 Phase 2
0.6296 Remote Similarity NPD617 Approved
0.6286 Remote Similarity NPD9671 Phase 2
0.6286 Remote Similarity NPD9670 Phase 2
0.6154 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6143 Remote Similarity NPD8784 Clinical (unspecified phase)
0.6094 Remote Similarity NPD8866 Approved
0.6094 Remote Similarity NPD8867 Approved
0.6087 Remote Similarity NPD8979 Approved
0.6087 Remote Similarity NPD8981 Clinical (unspecified phase)
0.6087 Remote Similarity NPD8980 Approved
0.6056 Remote Similarity NPD378 Phase 3
0.6 Remote Similarity NPD8952 Approved
0.5921 Remote Similarity NPD9665 Clinical (unspecified phase)
0.5921 Remote Similarity NPD9666 Clinical (unspecified phase)
0.5914 Remote Similarity NPD7841 Clinical (unspecified phase)
0.5909 Remote Similarity NPD9018 Approved
0.5909 Remote Similarity NPD9017 Approved
0.5882 Remote Similarity NPD8785 Approved
0.5875 Remote Similarity NPD366 Approved
0.5862 Remote Similarity NPD9401 Discovery
0.5857 Remote Similarity NPD4281 Clinical (unspecified phase)
0.5854 Remote Similarity NPD9199 Approved
0.5851 Remote Similarity NPD1784 Approved
0.5844 Remote Similarity NPD9451 Clinical (unspecified phase)
0.5833 Remote Similarity NPD8951 Approved
0.5833 Remote Similarity NPD9578 Clinical (unspecified phase)
0.5821 Remote Similarity NPD8872 Phase 3
0.5821 Remote Similarity NPD8871 Approved
0.5814 Remote Similarity NPD614 Discontinued
0.5795 Remote Similarity NPD3723 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1782 Approved
0.5694 Remote Similarity NPD9433 Approved
0.5679 Remote Similarity NPD9217 Clinical (unspecified phase)
0.5672 Remote Similarity NPD9230 Discontinued
0.567 Remote Similarity NPD6120 Clinical (unspecified phase)
0.5657 Remote Similarity NPD6122 Discontinued
0.5652 Remote Similarity NPD4780 Clinical (unspecified phase)
0.5652 Remote Similarity NPD8851 Phase 1
0.5634 Remote Similarity NPD8864 Clinical (unspecified phase)
0.5625 Remote Similarity NPD9019 Approved
0.561 Remote Similarity NPD9198 Approved

Structure

External Identifiers

PubChem CID   6993386;3013625
ChEMBL   CHEMBL80548
ZINC  

Physicochemical Properties

Molecular Weight:  172.08
ALogP:  -2.5478
MLogP:  1.68
XLogP:  -3.427
# Rotatable Bonds:  5
Polar Surface Area:  83.63
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  12

Download Data

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