Details of the Drug

General Information of Drug (ID: DMIUX3D)

Drug Name
Methyl aminolevulinate
Synonyms
Metvix; Aminolevulinic acid methyl ester; Methyl 5-aminolevulinate; Methyl delta-aminolevulinate; Methyl5-amino-4-oxopentanoate; Levulinic acid, 5-amino-, methyl ester; Pentanoic acid, 5-amino-4-oxo-, methyl ester; 5-Aminolevulinic acid methyl ester
Indication
Disease Entry ICD 11 Status REF
Acne vulgaris ED80 Approved [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 145.16
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H11NO3
IUPAC Name
methyl 5-amino-4-oxopentanoate
Canonical SMILES
COC(=O)CCC(=O)CN
InChI
InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3
InChIKey
YUUAYBAIHCDHHD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
157922
ChEBI ID
CHEBI:724125
CAS Number
33320-16-0
DrugBank ID
DB00992
TTD ID
D0OL6O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ferrochelatase (FECH) TTQ6VF4 HEMH_HUMAN Activator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Lactadherin (MFGE8) OTQKE41R MFGM_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 021415.
2 Low-dose methotrexate enhances aminolevulinate-based photodynamic therapy in skin carcinoma cells in vitro and in vivo. Clin Cancer Res. 2009 May 15;15(10):3333-43.
3 Efficacy of a methyl ester of 5-aminolevulinic acid in photodynamic therapy for ovarian cancers. J Cancer Res Clin Oncol. 2010 Aug;136(8):1143-50. doi: 10.1007/s00432-010-0761-7. Epub 2010 Jan 13.