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]
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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: CHEBI:724125
CAS Number: 33320-16-0
UNII: 585NM85KYM
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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Lactadherin (MFGE8)	OTQKE41R	MFGM_HUMAN	Gene/Protein Processing	[3]

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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.
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.