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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1187
CHEMBL1187
Compound Name PHOSPHORIC ACID
ChEMBL Synonyms E338 | Phosphoric Acid
Max Phase 4 (Approved)
Trade Names
Molecular Formula H3O4P

Additional synonyms for CHEMBL1187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)O
Standard InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
Standard InChI Key NBIIXXVUZAFLBC-UHFFFAOYSA-N

Molecule Features

CHEMBL1187 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 3 structural alerts for CHEMBL1187. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1187

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
98 97.9769 -0.47 0 87.57 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.97 - -1.64 -5.88 0 5 0.36

Compound Cross References

ChemSpider ChemSpider:NBIIXXVUZAFLBC-UHFFFAOYSA-N
PubChem SID: 144204604 SID: 144209483 SID: 144213563 SID: 17388778
Wikipedia Phosphoric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1187



ACToR 68891-72-5 7664-38-2 178560-73-1 9044-08-0
BindinDB 14671
ChEBI 26078
eMolecules 475414
FDA SRS E4GA8884NN
Human Metabolome Database HMDB02142
KEGG Ligand C00009
Mcule MCULE-5726619687
MolPort MolPort-003-925-287
Nikkaji J3.746J
PharmGKB PA450953
PubChem 22486802 1004
PubChem: Thomson Pharma 14915945
SureChEMBL SCHEMBL22

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NBIIXXVUZAFLBC-UHFFFAOYSA-N spacer
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