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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

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1187

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

ClinicalTrials.gov PHOSPHORIC ACID
The Cochrane Collaboration PHOSPHORIC ACID

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

Structural Alerts

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

Compound Cross References

ChemSpider ChemSpider:NBIIXXVUZAFLBC-UHFFFAOYSA-N
DailyMed phosphoric acid
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
BindingDB 14671
Brenda 103488 3510 20780 106922 21672 4941 60583 16
ChEBI 26078
DrugBank DB09394
DrugCentral 4478
eMolecules 475414
EPA CompTox Dashboard DTXSID5024263
FDA SRS E4GA8884NN
Human Metabolome Database HMDB0002142
KEGG Ligand C00009
Mcule MCULE-5726619687
Metabolights MTBLC26078
Nikkaji J3.746J
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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