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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 | 5 ALA HCl | Aminolevulinic Acid | Aminolevulinic Acid HCl
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

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed

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

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 CHEMBL601. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL601

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

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
ChEBI 356416 17549
DrugBank DB00855
eMolecules 984061
FDA SRS 88755TAZ87
Guide to Pharmacology 4784
Human Metabolome Database HMDB01149
IBM Patent System E4C3DF3CD1BA51B01550B2E4A9B6F328
KEGG Ligand C00430
LINCS LSM-5677
Mcule MCULE-8676354165
NIH Clinical Collection SAM002589919
Nikkaji J38.537I
PubChem 137 7048523
PubChem: Thomson Pharma 15170674
Recon 5aop
SureChEMBL SCHEMBL8243
ZINC ZINC03782550

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