Molecule

6-Amino-3-methylpurine

AlkaPlorer ID: AK005577

Synonym: 3-Methyl-3H-purin-6-amine, 3-Methyladenine

IUPAC Name: 3-methyl-7H-purin-6-imine

SMILES: CN1C=NC(N)=C2N=CN=C21

InChI: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3

InChIKey: FSASIHFSFGAIJM-UHFFFAOYSA-N

CAS: 5142-23-4

LOTUS: LTS0223422

SuperNatural Ⅲ: SN0094054

NPASS: NPC87981

COCONUT: CNP0153376

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Thorectidae	Dictyoceratida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Plakortis	Plakinidae	Homosclerophorida	Homoscleromorpha	Porifera	Metazoa	Eukaryota
None	Plakortis	Plakinidae	Homosclerophorida	Homoscleromorpha	Porifera	Metazoa	Eukaryota

Molecule Weight: 149.15699999999998

TPSA？: 69.62

MolLogP？: -0.1029000000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli (strain K12)	DNA-3-methyladenine glycosylase 1	IC50	1500000.0	nM	10.1007/s00044-012-0346-x
Homo sapiens	Cysteine protease ATG4B	Ratio	0.57	None	None
Homo sapiens	Growth factor receptor-bound protein 2	Activity	nan	None	10.1016/j.bmc.2012.10.023
Homo sapiens	Histone deacetylase 6	Inhibition	2.21	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	11.26	%	10.6019/CHEMBL4808148
Homo sapiens	HL-60	Activity	nan	None	10.1021/acsmedchemlett.7b00454
Homo sapiens	MIA PaCa-2	EC50	100000.0	nM	10.1021/acsmedchemlett.6b00392
Homo sapiens	PANC-1	FC	2.0	None	10.1021/acs.jnatprod.8b00733
Homo sapiens	Phosphatidylinositol 3-kinase catalytic subunit type 3	IC50	25000.0	nM	10.1016/j.ejmech.2022.114846
Homo sapiens	Phosphatidylinositol 4-kinase, PI4K	Inhibition	58.8	%	10.1021/jm00170a005
Homo sapiens	PI3-kinase p110-gamma subunit	IC50	60000.0	nM	10.1016/j.ejmech.2022.114846

AKRT ID	Reaction	Reaction Link ID
AKRT000874	OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=N)ncn(C)c32)C[C@@H]1OP(=O)(O)O>>Cn1cnc(N)c2ncnc1-2	MNXR187448