Natural Product: NPC148385

Natural Product ID:  NPC148385
Common Name:   2-Amino-1-Methyl-7H-Purin-6-One
IUPAC Name:   2-amino-1-methyl-7H-purin-6-one
Synonyms:  
Molecular Formula:   C6H7N5O
Standard InCHIKey:  RFLVMTUMFYRZCB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
Canonical SMILES:  Cn1c(=N)[nH]c2c(c1=O)nc[nH]2
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
NPO15310 Oxytropis oxyphylla Species Fabaceae Eukaryota UNPD*
NPO14995 Chloranthus spicatus Species Chloranthaceae Eukaryota UNPD*
NPO10935 Chamaepeuce afra NA NA NA UNPD*
NPO14635 Thalictrum squarrosum Species Ranunculaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 67823.1 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 54329.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27000.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17180.6 nM PubChem BioAssay data set

  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 NPC148385 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
0.9633 High Similarity NPC252603
0.9273 High Similarity NPC278549
0.885 High Similarity NPC158847
0.8739 High Similarity NPC256849
0.8661 High Similarity NPC199790
0.8611 High Similarity NPC476099
0.8393 Intermediate Similarity NPC47936
0.8246 Intermediate Similarity NPC303899
0.8053 Intermediate Similarity NPC75131
0.8017 Intermediate Similarity NPC109322
0.7951 Intermediate Similarity NPC180493
0.7788 Intermediate Similarity NPC476562
0.7611 Intermediate Similarity NPC476561
0.7333 Intermediate Similarity NPC41958
0.7328 Intermediate Similarity NPC18335
0.7167 Intermediate Similarity NPC312187
0.7167 Intermediate Similarity NPC4837
0.7132 Intermediate Similarity NPC226184
0.7132 Intermediate Similarity NPC76544
0.7132 Intermediate Similarity NPC167285
0.7063 Intermediate Similarity NPC321052
0.6991 Remote Similarity NPC51000
0.6983 Remote Similarity NPC293163
0.697 Remote Similarity NPC246193
0.6949 Remote Similarity NPC59314
0.6923 Remote Similarity NPC174114
0.6923 Remote Similarity NPC87981
0.6693 Remote Similarity NPC68938
0.6693 Remote Similarity NPC189314
0.6612 Remote Similarity NPC476564
0.6557 Remote Similarity NPC119133
0.6519 Remote Similarity NPC14330
0.6496 Remote Similarity NPC9639
0.6496 Remote Similarity NPC57279
0.6471 Remote Similarity NPC287876
0.6328 Remote Similarity NPC313547
0.629 Remote Similarity NPC155498
0.626 Remote Similarity NPC10466
0.625 Remote Similarity NPC144223
0.6202 Remote Similarity NPC327613
0.6133 Remote Similarity NPC326694
0.6129 Remote Similarity NPC111132
0.6116 Remote Similarity NPC320256
0.6115 Remote Similarity NPC104011
0.5985 Remote Similarity NPC15566
0.5985 Remote Similarity NPC248007
0.5852 Remote Similarity NPC327579
0.584 Remote Similarity NPC326248
0.584 Remote Similarity NPC187191
0.5839 Remote Similarity NPC5707
0.5775 Remote Similarity NPC243319
0.5766 Remote Similarity NPC139776
0.5734 Remote Similarity NPC25465
0.5685 Remote Similarity NPC320818
0.5669 Remote Similarity NPC273327
0.5658 Remote Similarity NPC197068
0.5646 Remote Similarity NPC237812
0.5646 Remote Similarity NPC18223
0.5638 Remote Similarity NPC317821
0.5638 Remote Similarity NPC286696
0.5638 Remote Similarity NPC185903
0.5625 Remote Similarity NPC235501
0.5608 Remote Similarity NPC33996

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC148385 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
0.9633 High Similarity NPD9292 Approved
0.9633 High Similarity NPD9289 Approved
0.9633 High Similarity NPD9288 Approved
0.9633 High Similarity NPD76 Approved
0.9211 High Similarity NPD579 Clinical (unspecified phase)
0.9074 High Similarity NPD8955 Approved
0.9074 High Similarity NPD8954 Approved
0.8739 High Similarity NPD9359 Approved
0.8739 High Similarity NPD9358 Approved
0.8421 Intermediate Similarity NPD9086 Approved
0.8291 Intermediate Similarity NPD580 Discontinued
0.8151 Intermediate Similarity NPD2221 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD1117 Clinical (unspecified phase)
0.7951 Intermediate Similarity NPD9544 Approved
0.7951 Intermediate Similarity NPD78 Approved
0.7899 Intermediate Similarity NPD578 Discontinued
0.7886 Intermediate Similarity NPD281 Approved
0.7823 Intermediate Similarity NPD1775 Approved
0.7823 Intermediate Similarity NPD1085 Approved
0.776 Intermediate Similarity NPD1128 Approved
0.776 Intermediate Similarity NPD1127 Approved
0.7642 Intermediate Similarity NPD4262 Discontinued
0.7578 Intermediate Similarity NPD282 Approved
0.7519 Intermediate Similarity NPD1118 Discontinued
0.7407 Intermediate Similarity NPD2179 Discontinued
0.7405 Intermediate Similarity NPD1119 Phase 2
0.7348 Intermediate Similarity NPD535 Approved
0.7339 Intermediate Similarity NPD9290 Approved
0.7328 Intermediate Similarity NPD8836 Approved
0.7319 Intermediate Similarity NPD7531 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4182 Phase 3
0.7143 Intermediate Similarity NPD4183 Phase 3
0.708 Intermediate Similarity NPD2253 Discontinued
0.704 Intermediate Similarity NPD9360 Approved
0.6991 Remote Similarity NPD8838 Approved
0.6949 Remote Similarity NPD8837 Clinical (unspecified phase)
0.6693 Remote Similarity NPD8831 Approved
0.6693 Remote Similarity NPD8833 Approved
0.6667 Remote Similarity NPD5321 Phase 3
0.6557 Remote Similarity NPD9291 Approved
0.6471 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6449 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6385 Remote Similarity NPD237 Clinical (unspecified phase)
0.6287 Remote Similarity NPD1250 Clinical (unspecified phase)
0.626 Remote Similarity NPD341 Approved
0.626 Remote Similarity NPD340 Approved
0.625 Remote Similarity NPD3081 Clinical (unspecified phase)
0.6235 Remote Similarity NPD3041 Approved
0.6204 Remote Similarity NPD870 Clinical (unspecified phase)
0.617 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8862 Approved
0.6129 Remote Similarity NPD8859 Approved
0.6129 Remote Similarity NPD8861 Approved
0.6124 Remote Similarity NPD9373 Approved
0.6058 Remote Similarity NPD9408 Phase 3
0.6047 Remote Similarity NPD9375 Discontinued
0.6043 Remote Similarity NPD9633 Phase 3
0.6031 Remote Similarity NPD9374 Approved
0.6026 Remote Similarity NPD3708 Phase 2
0.6014 Remote Similarity NPD9627 Approved
0.5985 Remote Similarity NPD9084 Phase 2
0.5946 Remote Similarity NPD3706 Clinical (unspecified phase)
0.5946 Remote Similarity NPD9704 Approved
0.5903 Remote Similarity NPD1120 Approved
0.5903 Remote Similarity NPD1121 Approved
0.5899 Remote Similarity NPD300 Approved
0.5896 Remote Similarity NPD9606 Approved
0.5887 Remote Similarity NPD248 Discontinued
0.5859 Remote Similarity NPD1816 Clinical (unspecified phase)
0.5852 Remote Similarity NPD9607 Approved
0.5852 Remote Similarity NPD307 Approved
0.5839 Remote Similarity NPD4240 Approved
0.5839 Remote Similarity NPD8830 Phase 3
0.5822 Remote Similarity NPD1808 Phase 1
0.5821 Remote Similarity NPD1368 Approved
0.5809 Remote Similarity NPD9409 Discontinued
0.5796 Remote Similarity NPD2604 Approved
0.5789 Remote Similarity NPD757 Phase 3
0.5775 Remote Similarity NPD9081 Clinical (unspecified phase)
0.5764 Remote Similarity NPD209 Clinical (unspecified phase)
0.5764 Remote Similarity NPD1058 Discontinued
0.5762 Remote Similarity NPD1730 Discontinued
0.5753 Remote Similarity NPD9628 Approved
0.5743 Remote Similarity NPD3696 Approved
0.5743 Remote Similarity NPD3695 Approved
0.5742 Remote Similarity NPD9605 Phase 3
0.5732 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4812 Phase 1
0.5705 Remote Similarity NPD1431 Approved
0.5705 Remote Similarity NPD1430 Approved
0.5703 Remote Similarity NPD9626 Clinical (unspecified phase)
0.5667 Remote Similarity NPD2618 Phase 1
0.5646 Remote Similarity NPD9133 Approved
0.563 Remote Similarity NPD9132 Discontinued
0.5605 Remote Similarity NPD1731 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   70315
ChEMBL   CHEMBL2396855
ZINC  

Physicochemical Properties

Molecular Weight:  165.07
ALogP:  -0.9111
MLogP:  1.46
XLogP:  -0.338
# Rotatable Bonds:  1
Polar Surface Area:  84.87
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  12

Download Data

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Biological Activities  
Similar NPs/Drugs