Natural Product: NPC293163

Natural Product ID:  NPC293163
Common Name:   4-Amino-1H-Imidazole-5-Carboxamide
IUPAC Name:   4-amino-1H-imidazole-5-carboxamide
Synonyms:   NSC-7784
Molecular Formula:   C4H6N4O
Standard InCHIKey:  DVNYTAVYBRSTGK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
Canonical SMILES:  Nc1c(nc[nH]1)C(=N)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 urine Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[7172404]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 814000 nM 17682095
NPT876 Individual Protein Guanine deaminase Homo sapiens Ki = 4440 nM 20716488
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 90460 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 259.3 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 1778.3 nM PubChem BioAssay data set
NPT91 Cell Line KB Homo sapiens GI = 20 % 24256410
NPT2 Others Unspecified Potency 28183.8 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 NPC293163 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
0.9684 High Similarity NPC59314
0.8932 High Similarity NPC41958
0.8846 High Similarity NPC313547
0.8571 High Similarity NPC320256
0.8 Intermediate Similarity NPC119133
0.79 Intermediate Similarity NPC51000
0.7797 Intermediate Similarity NPC14330
0.7788 Intermediate Similarity NPC327579
0.7731 Intermediate Similarity NPC287876
0.7642 Intermediate Similarity NPC10466
0.757 Intermediate Similarity NPC476099
0.7387 Intermediate Similarity NPC4837
0.7387 Intermediate Similarity NPC312187
0.7345 Intermediate Similarity NPC327613
0.7248 Intermediate Similarity NPC18335
0.7155 Intermediate Similarity NPC278549
0.7143 Intermediate Similarity NPC9639
0.713 Intermediate Similarity NPC63433
0.7091 Intermediate Similarity NPC476562
0.7009 Intermediate Similarity NPC240084
0.7 Intermediate Similarity NPC5707
0.6983 Remote Similarity NPC148385
0.6929 Remote Similarity NPC262926
0.6909 Remote Similarity NPC476561
0.6905 Remote Similarity NPC57279
0.6885 Remote Similarity NPC248007
0.688 Remote Similarity NPC246193
0.6875 Remote Similarity NPC61198
0.6827 Remote Similarity NPC290449
0.675 Remote Similarity NPC252603
0.6696 Remote Similarity NPC111132
0.6641 Remote Similarity NPC324009
0.6639 Remote Similarity NPC139776
0.6617 Remote Similarity NPC186619
0.6613 Remote Similarity NPC15566
0.661 Remote Similarity NPC199790
0.6589 Remote Similarity NPC319221
0.6583 Remote Similarity NPC189314
0.6583 Remote Similarity NPC68938
0.6579 Remote Similarity NPC155498
0.6519 Remote Similarity NPC251233
0.6519 Remote Similarity NPC211820
0.6519 Remote Similarity NPC318590
0.6518 Remote Similarity NPC174114
0.6518 Remote Similarity NPC87981
0.6515 Remote Similarity NPC30326
0.6508 Remote Similarity NPC180462
0.6508 Remote Similarity NPC144223
0.6491 Remote Similarity NPC476564
0.6484 Remote Similarity NPC243319
0.6471 Remote Similarity NPC177169
0.6471 Remote Similarity NPC89147
0.6471 Remote Similarity NPC317746
0.6471 Remote Similarity NPC274384
0.6444 Remote Similarity NPC315642
0.6444 Remote Similarity NPC74306
0.6423 Remote Similarity NPC232408
0.6423 Remote Similarity NPC64705
0.6393 Remote Similarity NPC158847
0.6356 Remote Similarity NPC47936
0.6324 Remote Similarity NPC8590
0.6241 Remote Similarity NPC320818
0.6183 Remote Similarity NPC235501
0.6176 Remote Similarity NPC185903
0.6174 Remote Similarity NPC273327
0.6087 Remote Similarity NPC187191
0.6087 Remote Similarity NPC326248
0.6074 Remote Similarity NPC18223
0.6074 Remote Similarity NPC237812
0.6058 Remote Similarity NPC286696
0.605 Remote Similarity NPC75131
0.6016 Remote Similarity NPC109322
0.5985 Remote Similarity NPC104011
0.5984 Remote Similarity NPC256849
0.5969 Remote Similarity NPC180493
0.5942 Remote Similarity NPC317821
0.587 Remote Similarity NPC129756
0.5865 Remote Similarity NPC237936
0.5854 Remote Similarity NPC303899
0.5845 Remote Similarity NPC327477
0.5828 Remote Similarity NPC14590
0.5821 Remote Similarity NPC25465
0.5797 Remote Similarity NPC33996
0.5793 Remote Similarity NPC150853
0.5775 Remote Similarity NPC174020
0.5775 Remote Similarity NPC21448
0.5775 Remote Similarity NPC156461
0.5775 Remote Similarity NPC107374
0.5745 Remote Similarity NPC229974
0.5734 Remote Similarity NPC164665
0.5734 Remote Similarity NPC189068
0.5714 Remote Similarity NPC161659
0.5714 Remote Similarity NPC209525
0.5694 Remote Similarity NPC219313
0.5694 Remote Similarity NPC269827
0.5694 Remote Similarity NPC309832
0.5643 Remote Similarity NPC210947
0.5638 Remote Similarity NPC60537
0.5634 Remote Similarity NPC314152
0.5616 Remote Similarity NPC136349
0.5608 Remote Similarity NPC328479
0.5608 Remote Similarity NPC282531
0.5608 Remote Similarity NPC321052
0.56 Remote Similarity NPC52238

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC293163 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
0.9684 High Similarity NPD8837 Clinical (unspecified phase)
0.8519 High Similarity NPD9360 Approved
0.8302 Intermediate Similarity NPD9375 Discontinued
0.8073 Intermediate Similarity NPD9374 Approved
0.8 Intermediate Similarity NPD9291 Approved
0.79 Intermediate Similarity NPD8838 Approved
0.789 Intermediate Similarity NPD9373 Approved
0.7788 Intermediate Similarity NPD307 Approved
0.7788 Intermediate Similarity NPD9607 Approved
0.7736 Intermediate Similarity NPD9626 Clinical (unspecified phase)
0.7731 Intermediate Similarity NPD8829 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD9409 Discontinued
0.7699 Intermediate Similarity NPD237 Clinical (unspecified phase)
0.7699 Intermediate Similarity NPD9606 Approved
0.7541 Intermediate Similarity NPD9083 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD209 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD515 Phase 1
0.7248 Intermediate Similarity NPD8836 Approved
0.7232 Intermediate Similarity NPD8954 Approved
0.7232 Intermediate Similarity NPD8955 Approved
0.704 Intermediate Similarity NPD547 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD545 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD1121 Approved
0.7008 Intermediate Similarity NPD1120 Approved
0.7 Intermediate Similarity NPD8830 Phase 3
0.6929 Remote Similarity NPD194 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1808 Phase 1
0.6893 Remote Similarity NPD9103 Approved
0.6893 Remote Similarity NPD9102 Approved
0.6885 Remote Similarity NPD9084 Phase 2
0.688 Remote Similarity NPD9632 Phase 3
0.6875 Remote Similarity NPD252 Clinical (unspecified phase)
0.6847 Remote Similarity NPD341 Approved
0.6847 Remote Similarity NPD340 Approved
0.675 Remote Similarity NPD9289 Approved
0.675 Remote Similarity NPD76 Approved
0.675 Remote Similarity NPD9292 Approved
0.675 Remote Similarity NPD9288 Approved
0.6742 Remote Similarity NPD1431 Approved
0.6742 Remote Similarity NPD1430 Approved
0.6696 Remote Similarity NPD8861 Approved
0.6696 Remote Similarity NPD8859 Approved
0.6696 Remote Similarity NPD8862 Approved
0.6583 Remote Similarity NPD8833 Approved
0.6583 Remote Similarity NPD8831 Approved
0.6541 Remote Similarity NPD549 Approved
0.6484 Remote Similarity NPD9081 Clinical (unspecified phase)
0.648 Remote Similarity NPD579 Clinical (unspecified phase)
0.6444 Remote Similarity NPD582 Approved
0.6422 Remote Similarity NPD9101 Discontinued
0.6378 Remote Similarity NPD300 Approved
0.6331 Remote Similarity NPD775 Approved
0.6328 Remote Similarity NPD870 Clinical (unspecified phase)
0.6312 Remote Similarity NPD7842 Phase 2
0.6288 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6197 Remote Similarity NPD3086 Phase 3
0.6172 Remote Similarity NPD9408 Phase 3
0.6148 Remote Similarity NPD9584 Phase 2
0.6148 Remote Similarity NPD9086 Approved
0.6127 Remote Similarity NPD3085 Phase 1
0.6107 Remote Similarity NPD248 Discontinued
0.6102 Remote Similarity NPD1816 Clinical (unspecified phase)
0.6098 Remote Similarity NPD9132 Discontinued
0.6087 Remote Similarity NPD1117 Clinical (unspecified phase)
0.6074 Remote Similarity NPD9133 Approved
0.6061 Remote Similarity NPD9650 Phase 3
0.6055 Remote Similarity NPD8835 Approved
0.6031 Remote Similarity NPD9633 Phase 3
0.6016 Remote Similarity NPD757 Phase 3
0.6016 Remote Similarity NPD798 Discontinued
0.6 Remote Similarity NPD578 Discontinued
0.5984 Remote Similarity NPD9358 Approved
0.5984 Remote Similarity NPD9359 Approved
0.5972 Remote Similarity NPD353 Discontinued
0.5971 Remote Similarity NPD1451 Approved
0.5969 Remote Similarity NPD78 Approved
0.5969 Remote Similarity NPD9544 Approved
0.5957 Remote Similarity NPD1730 Discontinued
0.5956 Remote Similarity NPD9628 Approved
0.5946 Remote Similarity NPD4074 Clinical (unspecified phase)
0.594 Remote Similarity NPD282 Approved
0.5929 Remote Similarity NPD5342 Clinical (unspecified phase)
0.5923 Remote Similarity NPD281 Approved
0.5865 Remote Similarity NPD8185 Discontinued
0.5865 Remote Similarity NPD8186 Phase 1
0.5857 Remote Similarity NPD9183 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1128 Approved
0.5833 Remote Similarity NPD1127 Approved
0.5794 Remote Similarity NPD1368 Approved
0.5782 Remote Similarity NPD1731 Clinical (unspecified phase)
0.5775 Remote Similarity NPD249 Approved
0.5775 Remote Similarity NPD250 Approved
0.5725 Remote Similarity NPD1389 Clinical (unspecified phase)
0.5725 Remote Similarity NPD1390 Phase 1
0.5725 Remote Similarity NPD1388 Phase 1
0.5714 Remote Similarity NPD536 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1354 Approved
0.5714 Remote Similarity NPD1355 Clinical (unspecified phase)
0.5714 Remote Similarity NPD705 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1356 Approved
0.5703 Remote Similarity NPD580 Discontinued
0.5694 Remote Similarity NPD195 Approved
0.5694 Remote Similarity NPD186 Discovery
0.5694 Remote Similarity NPD7531 Clinical (unspecified phase)
0.5685 Remote Similarity NPD3708 Phase 2
0.5682 Remote Similarity NPD4812 Phase 1
0.5676 Remote Similarity NPD1369 Phase 2
0.5676 Remote Similarity NPD1750 Clinical (unspecified phase)
0.5676 Remote Similarity NPD213 Clinical (unspecified phase)
0.5676 Remote Similarity NPD214 Approved
0.5672 Remote Similarity NPD1807 Clinical (unspecified phase)
0.5667 Remote Similarity NPD3405 Phase 3
0.5667 Remote Similarity NPD2624 Phase 2
0.5664 Remote Similarity NPD9627 Approved
0.5659 Remote Similarity NPD9290 Approved
0.5638 Remote Similarity NPD2180 Approved
0.5634 Remote Similarity NPD185 Approved
0.5616 Remote Similarity NPD548 Clinical (unspecified phase)
0.5615 Remote Similarity NPD2221 Clinical (unspecified phase)
0.5603 Remote Similarity NPD193 Suspended
0.5603 Remote Similarity NPD1118 Discontinued

Structure

External Identifiers

PubChem CID   9679
ChEMBL   CHEMBL1610
ZINC  

Physicochemical Properties

Molecular Weight:  126.05
ALogP:  -1.2519
MLogP:  1.35
XLogP:  0.25
# Rotatable Bonds:  3
Polar Surface Area:  98.78
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  9

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