METHYL AMINOLEVULINATE


Synonyms	Methyl 5-aminolevulinate Methyl aminolaevulinate Methyl aminolevulinate Methyl-5-aminolevulinate Metvix
Status
Molecule Category	UNKNOWN
ATC	L01XD03
UNII	585NM85KYM
EPA CompTox	DTXSID3048570


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H11NO3
Molecular Weight	145.16
AlogP	-0.53
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	69.39
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Cross References

Resources	Reference
ChEBI	724125
ChEMBL	CHEMBL1096562
DrugBank	DB00992
DrugCentral	168
FDA SRS	585NM85KYM
Human Metabolome Database	HMDB0015127
PharmGKB	PA164784028
PubChem	157922
SureChEMBL	SCHEMBL8521
ZINC	ZINC000001909090

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).