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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL601
CHEMBL601
Compound Name AMINOLEVULINIC ACID
ChEMBL Synonyms LEVULAN | AMINOLEVULINIC ACID HYDROCHLORIDE | 5 ALA HCL (TRIVIAL NAME) | Levulan | Aminolevulinic acid
Max Phase 4 (Approved)
Trade Names LEVULAN
Molecular Formula C5H9NO3

Additional synonyms for CHEMBL601 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCC(=O)CCC(=O)O
Standard InChI InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
Standard InChI Key ZGXJTSGNIOSYLO-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL601

Molecule Features

CHEMBL601 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LEUKOPLAKIA, ORALD007972HP:0002745ORAL LEUKOPLAKIA1ClinicalTrials
ACNE VULGARISD000152EFO:0003894ACNE2ClinicalTrials

Clinical Data

ClinicalTrials.gov AMINOLEVULINIC ACID
The Cochrane Collaboration AMINOLEVULINIC 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
131.1 131.0582 -3.7 4 80.39 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.13 7.37 -1.05 -3.67 0 9 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL601. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XD - Sensitizers used in photodynamic/radiation therapy
L01XD04 - aminolevulinic acid

ChemSpider ChemSpider:ZGXJTSGNIOSYLO-UHFFFAOYSA-N
DailyMed aminolevulinic acid hydrochloride
PubChem SID: 56322917
Wikipedia Aminolevulinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL601



ACToR 106-60-5
BindingDB 50240386
Brenda 135696 166151 50690 101752 4489 1393
ChEBI 356416 17549
DrugBank DB00855
DrugCentral 166
eMolecules 984061
EPA CompTox Dashboard DTXSID8048490
FDA SRS 88755TAZ87
Guide to Pharmacology 4784
Human Metabolome Database HMDB0001149
IBM Patent System E4C3DF3CD1BA51B01550B2E4A9B6F328
KEGG Ligand C00430
LINCS LSM-5677
LipidMaps LMFA01100055
Mcule MCULE-8676354165
Metabolights MTBLC17549 MTBLC356416
NIH Clinical Collection SAM002589919
Nikkaji J38.537I
PharmGKB PA10015
PubChem 137 7048523
PubChem: Thomson Pharma 15170674
Recon 5aop
Rhea 356416
SureChEMBL SCHEMBL8243
ZINC ZINC000003782550

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