ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1096562
CHEMBL1096562
Compound Name METHYL AMINOLEVULINATE
ChEMBL Synonyms METHYL AMINOLEVULINATE | METVIX | METVIXIA | METHYL-5-AMINOLEVULINATE | P-1202 | METHYL AMINOLEVULINATE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names METVIXIA | METVIX
Molecular Formula C6H11NO3

Additional synonyms for CHEMBL1096562 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)CCC(=O)CN
Standard InChI InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3
Standard InChI Key YUUAYBAIHCDHHD-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1096562

Molecule Features

CHEMBL1096562 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y 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
Keratosis, ActinicD055623EFO:0002496actinic keratosis3ClinicalTrials
Uterine Cervical DysplasiaD002578EFO:1000910dysplasia of cervix1ClinicalTrials
Acne VulgarisD000152EFO:0003894acne2ClinicalTrials
Skin AgingD015595EFO:0005422skin aging3ClinicalTrials
PainD010146EFO:0003843pain1ClinicalTrials
Skin NeoplasmsD012878EFO:0004198skin neoplasm1ClinicalTrials
Carcinoma, Basal CellD002280EFO:0004193basal cell carcinoma3ClinicalTrials
ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma1ClinicalTrials

Clinical Data

ClinicalTrials.gov METHYL AMINOLEVULINATE
The Cochrane Collaboration METHYL AMINOLEVULINATE

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
145.2 145.0739 -0.53 4 69.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.15 -.7 -.9 0 10 0.54

Structural Alerts

There are 4 structural alerts for CHEMBL1096562. 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
L01XD03 - methyl aminolevulinate

ChemSpider ChemSpider:YUUAYBAIHCDHHD-UHFFFAOYSA-N
DailyMed methyl aminolevulinate hydrochloride
PubChem SID: 104171381
Wikipedia Methyl_aminolevulinate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1096562



ACToR 33320-16-0
Brenda 110301
ChEBI 724125
DrugBank DB00992
DrugCentral 168
EPA CompTox Dashboard DTXSID3048570
FDA SRS 585NM85KYM
Human Metabolome Database HMDB0015127
IBM Patent System ADD5488C7AD74E2ED8645C2A553653CB
Mcule MCULE-8571939531
Nikkaji J313.797J
PharmGKB PA164784028
PubChem 157922
PubChem: Thomson Pharma 14747821
SureChEMBL SCHEMBL8521
ZINC ZINC000001909090

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