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

Affected Organisms

Humans and other mammals

ATC Code

L01XD03: Methyl aminolevulinate

L01XD: Sensitizers used in photodynamic/radiation therapy

L01X: OTHER ANTINEOPLASTIC AGENTS

L01: ANTINEOPLASTIC AGENTS

L: ANTINEOPLASTIC AND IMMUNOMODULATING 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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEMBL724125
CAS Number: 33320-16-0
UNII: 585NM85KYM
DrugBank ID: DB00992
TTD ID: D0OL6O

Drug-Molecule Activity Atlas (DMA)^NEW

Click to Jump to the Detailed DMA Information of This Drug

Drug ADMET Endpoint Profile (DAE)^NEW

Click to Jump to the Detailed DAE Information of This Drug

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]

Molecular Interaction Atlas (MIA)

MIA Detail

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.