Natural Product: NPC327795

Natural Product ID:  NPC327795
Common Name:   Bicarbonate
IUPAC Name:   carbonic acid
Synonyms:   Bicarbonate; Bicarbonate Ion; Carbonic Acid Anion; Hydrogen Carbonate
Molecular Formula:   CH2O3
Standard InCHIKey:  BVKZGUZCCUSVTD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
Canonical SMILES:  OC(=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 saliva PMID[24421258]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 15664814
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 15664814
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 5700000 nM 15664814
NPT1143 Individual Protein Carbonic anhydrase VA Homo sapiens Ki = 95000000 nM 15664814
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 8600 nM 15664814
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 15357993
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 15357993
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 44000000 nM 15357993
NPT4793 Individual Protein Carbonic anhydrase Methanosarcina thermophila Ki = 42000000 nM 15357993
NPT1150 Individual Protein Carbonic anhydrase Methanobacterium thermoautotrophicum Ki = 44900000 nM 15357993
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 15357993
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 15357993
NPT4793 Individual Protein Carbonic anhydrase Methanosarcina thermophila Ki = 6700000 nM 15357993
NPT1150 Individual Protein Carbonic anhydrase Methanobacterium thermoautotrophicum Ki = 9600000 nM 15357993
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 15454240
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 15454240
NPT1060 Protein Family Carbonic anhydrase V Homo sapiens Ki = 82000000 nM 15454240
NPT1061 Individual Protein Carbonic anhydrase XIII Mus musculus Ki = 140000000 nM 15454240
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 15454240
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 15454240
NPT1060 Protein Family Carbonic anhydrase V Homo sapiens Ki = 95000000 nM 15454240
NPT1061 Individual Protein Carbonic anhydrase XIII Mus musculus Ki = 5500000 nM 15454240
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 15501038
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 15501038
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 6600000 nM 15501038
NPT1060 Protein Family Carbonic anhydrase V Homo sapiens Ki = 82000000 nM 15501038
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 13000000 nM 15501038
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 15501038
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 15501038
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 5700000 nM 15501038
NPT1060 Protein Family Carbonic anhydrase V Homo sapiens Ki = 95000000 nM 15501038
NPT955 Individual Protein Carbonic anhydrase VII Homo sapiens Ki = 270000 nM 16621537
NPT955 Individual Protein Carbonic anhydrase VII Homo sapiens Ki = 160000 nM 16621537
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 21208801
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 21208801
NPT1063 Individual Protein Carbonic anhydrase VI Homo sapiens Ki = 800000 nM 21208801
NPT1064 Individual Protein Alpha carbonic anhydrase Stylophora pistillata Ki = 450000 nM 21208801
NPT1065 Individual Protein Carbonic anhydrase Stylophora pistillata Ki = 7810000 nM 21208801
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 21208801
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 21208801
NPT1063 Individual Protein Carbonic anhydrase VI Homo sapiens Ki = 690000 nM 21208801
NPT1064 Individual Protein Alpha carbonic anhydrase Stylophora pistillata Ki = 10000 nM 21208801
NPT1065 Individual Protein Carbonic anhydrase Stylophora pistillata Ki = 240000 nM 21208801
NPT2 Others Unspecified Ki = 750000 nM 23078755
NPT2 Others Unspecified Ki = 15700000 nM 23078755
NPT2 Others Unspecified Ki = 33200000 nM 23078755
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 23078755
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 26525863
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 26525863
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 26525863
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 26525863
NPT2 Others Unspecified Ki = 730000 nM 26525863
NPT2 Others Unspecified Ki = 1020000 nM 26525863
NPT2 Others Unspecified Ki = 6700000 nM 26853167
NPT2 Others Unspecified Ki = 5900000 nM 26853167
NPT2 Others Unspecified Ki = 4640000 nM 26853167
NPT2 Others Unspecified Ki = 5130000 nM 26853167
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 26853167
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 26853167
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 26853167
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 26853167
NPT2 Others Unspecified Ki = 5900000 nM 27283786
NPT2 Others Unspecified Ki = 6700000 nM 27283786
NPT2 Others Unspecified Ki = 4640000 nM 27283786
NPT2 Others Unspecified Ki = 5130000 nM 27283786
NPT2 Others Unspecified Ki = 660000 nM 27283786
NPT2 Others Unspecified Ki = 750000 nM 27283786
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 73000000 nM 27283786
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 85000000 nM 27283786
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 15000000 nM 27283786
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 12000000 nM 27283786
NPT2 Others Unspecified Ki = 3000000 nM 27283786
NPT2 Others Unspecified Ki = 8200000 nM 27283786

  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 NPC327795 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
0.6154 Remote Similarity NPC159900
0.5714 Remote Similarity NPC300325

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC327795 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
1.0 High Similarity NPD9749 Approved
1.0 High Similarity NPD9746 Approved
1.0 High Similarity NPD9748 Approved
0.75 Intermediate Similarity NPD9736 Approved
0.75 Intermediate Similarity NPD9737 Approved
0.75 Intermediate Similarity NPD9750 Approved
0.75 Intermediate Similarity NPD9740 Approved
0.75 Intermediate Similarity NPD9739 Approved
0.75 Intermediate Similarity NPD9743 Approved
0.75 Intermediate Similarity NPD9742 Approved
0.75 Intermediate Similarity NPD9738 Approved
0.75 Intermediate Similarity NPD9744 Approved
0.75 Intermediate Similarity NPD113 Approved
0.75 Intermediate Similarity NPD9745 Approved
0.75 Intermediate Similarity NPD9747 Approved
0.75 Intermediate Similarity NPD9741 Approved
0.5714 Remote Similarity NPD9752 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   767;3614646;22639876
ChEMBL   CHEMBL1161632
ZINC  

Physicochemical Properties

Molecular Weight:  62.00
ALogP:  0.1623
MLogP:  1.24
XLogP:  -0.23
# Rotatable Bonds:  2
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  4

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