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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL301523
CHEMBL301523
Compound Name L-PHENYLALANINE
ChEMBL Synonyms L-phenylalanine | PHENYLALANINE
Max Phase 3
Trade Names
Molecular Formula C9H11NO2

Additional synonyms for CHEMBL301523 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](Cc1ccccc1)C(=O)O
Standard InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10 ...
Download InChI
Standard InChI Key COLNVLDHVKWLRT-QMMMGPOBSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL301523

Molecule Features

CHEMBL301523 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PHENYLKETONURIASD010661Orphanet:716PHENYLKETONURIA3ClinicalTrials

Clinical Data

ClinicalTrials.gov L-PHENYLALANINE
The Cochrane Collaboration L-PHENYLALANINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL301523. 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
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 1.000
CHEMBL2590 Aminopeptidase N Sus scrofa 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.999
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.999
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.999
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.989
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.983
CHEMBL3222 Delta opioid receptor Mus musculus 0.982
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.971
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.971
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.940
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.906
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.901
CHEMBL286 Renin Homo sapiens 0.801
CHEMBL3369 Neprilysin Rattus norvegicus 0.772
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.770
CHEMBL1907 Aminopeptidase N Homo sapiens 0.722
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.663
CHEMBL236 Delta opioid receptor Homo sapiens 0.648
CHEMBL3976 Dipeptidyl peptidase II Homo sapiens 0.391



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 1.000
CHEMBL2590 Aminopeptidase N Sus scrofa 1.000
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.999
CHEMBL1907 Aminopeptidase N Homo sapiens 0.998
CHEMBL3222 Delta opioid receptor Mus musculus 0.991
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.990
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.989
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.985
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.981
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.973
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.948
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.916
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.900
CHEMBL2693 Cystinyl aminopeptidase Homo sapiens 0.886
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.850
CHEMBL286 Renin Homo sapiens 0.840
CHEMBL3744 Glutamate receptor ionotropic kainate 3 Rattus norvegicus 0.728

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
165.2 165.079 -1.61 3 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 9.2 .24 -2.27 1 12 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL301523. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:COLNVLDHVKWLRT-QMMMGPOBSA-N
PubChem SID: 124877007 SID: 124877010 SID: 26753740 SID: 4252550
Wikipedia Phenylalanine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL301523



ACToR 10549-09-4
BindingDB 18073
Brenda 171017 104 203 46062 429 379 171018 145037 145949
ChEBI 17295 58095
DrugBank DB00120
DrugCentral 2144
eMolecules 26757996 514492
EPA CompTox Dashboard DTXSID4040763
FDA SRS 47E5O17Y3R
Guide to Pharmacology 3313
Human Metabolome Database HMDB0000159
IBM Patent System AA99CB47D34BF2C09CAE2E12744095C3
KEGG Ligand C00079
Mcule MCULE-5960921520 MCULE-4249753593
Metabolights MTBLC17295 MTBLC58095
Nikkaji J9.175H
PDBe PHE
PharmGKB PA450931
PubChem 6140 6925665
PubChem: Thomson Pharma 15219430
Recon phe_L
Rhea 58095
SureChEMBL SCHEMBL8119
ZINC ZINC000000105196

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