ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200365
CHEMBL1200365
Compound Name AMINOHIPPURATE SODIUM
ChEMBL Synonyms P-AMINOHIPPURATE SODIUM | PARA-AMINOHIPPURATE SODIUM [INJECTION] | AMINOHIPPURATE SODIUM
Max Phase 4 (Approved)
Trade Names AMINOHIPPURATE SODIUM
Molecular Formula C9H9N2NaO3

Additional synonyms for CHEMBL1200365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].Nc1ccc(cc1)C(=O)NCC(=O)[O-]
Standard InChI InChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h ...
Download InChI
Standard InChI Key UNZMYCAEMNVPHX-UHFFFAOYSA-M

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200365

Molecule Features

CHEMBL1200365 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 AMINOHIPPURATE SODIUM
The Cochrane Collaboration AMINOHIPPURATE SODIUM

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200365. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.991
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.967
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.874
CHEMBL1937 Histone deacetylase 2 Homo sapiens 0.861
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.629
CHEMBL209 Trypsin I Homo sapiens 0.476
CHEMBL3991 Coagulation factor VII Homo sapiens 0.454
CHEMBL5701 Serine/threonine-protein kinase TAO3 Homo sapiens 0.432
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.383
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.342
CHEMBL4015 C-C chemokine receptor type 2 Homo sapiens 0.294
CHEMBL5261 Serine/threonine-protein kinase TAO1 Homo sapiens 0.283
CHEMBL5697 Egl nine homolog 1 Homo sapiens 0.219



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.991
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.937
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.932
CHEMBL1937 Histone deacetylase 2 Homo sapiens 0.817
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.800
CHEMBL209 Trypsin I Homo sapiens 0.642
CHEMBL1985 Glucagon receptor Homo sapiens 0.604
CHEMBL3991 Coagulation factor VII Homo sapiens 0.517
CHEMBL204 Thrombin Homo sapiens 0.450
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.347
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.249
CHEMBL5701 Serine/threonine-protein kinase TAO3 Homo sapiens 0.241
CHEMBL5261 Serine/threonine-protein kinase TAO1 Homo sapiens 0.219

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
194.2 194.0691 0.08 3 92.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.61 2.53 -.12 -3.69 1 14 0.59

Structural Alerts

There are 3 structural alerts for CHEMBL1200365. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UNZMYCAEMNVPHX-UHFFFAOYSA-M
DailyMed aminohippurate sodium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200365



ACToR 94-16-6
ChEBI 31204
eMolecules 4927780
FDA SRS SUO3KVS1O9
Mcule MCULE-8947422149
Nikkaji J4.696E
PubChem 443971
SureChEMBL SCHEMBL8964780

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