Molecule

2,6-Purinediamine

AlkaPlorer ID: AK043147

Synonym: 2,6-Diaminopurine, 2-Aminoadenine

IUPAC Name: 7H-purine-2,6-diamine

Structure

SMILES: NC1=NC(N)=C2NC=NC2=N1

InChI: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)

InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N

Reference

PubChem CID: 30976

CAS: 1006-52-6

COCONUT: CNP0402488

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bacillus subtilis	Bacillus	Bacillaceae	Bacillales	Bacilli	Bacillota	None	Bacteria

Properties Information

Molecule Weight: 150.145

TPSA？: 106.5

MolLogP？: -0.4827000000000006

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	3-phosphoinositide dependent protein kinase-1	IC50	50800.0	nM	10.1021/ml100136n
Homo sapiens	Chromobox protein homolog 1	Potency	100000.0	nM	None
Homo sapiens	Cyclin-dependent kinase 1	IC50	100000.0	nM	10.1021/jm960666x
Homo sapiens	Geminin	Potency	18356.4	nM	None
Homo sapiens	Geminin	Potency	23109.3	nM	None
Homo sapiens	Guanine deaminase	Inhibition	nan	%	10.1016/j.bmc.2010.07.054
Homo sapiens	Guanine deaminase	Ki	1880.0	nM	10.1016/j.bmc.2010.07.054
Homo sapiens	HepG2	Potency	794.3	nM	None
Homo sapiens	HFF	CC50	300000.0	nM	10.1016/j.bmc.2012.04.049
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	16360.1	nM	None
Homo sapiens	MOLT-3	CC50	20000.0	nM	10.1016/j.bmc.2012.04.049
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	35481.3	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	20596.2	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	6513.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	8199.5	nM	None
Homo sapiens	Xanthine dehydrogenase	IC50	200000.0	nM	10.1016/j.bmc.2007.03.010
Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	300000.0	nM	10.1016/j.bmc.2012.04.049
Human alphaherpesvirus 2	Human alphaherpesvirus 2	IC50	300000.0	nM	10.1016/j.bmc.2012.04.049
Human alphaherpesvirus 3	Human alphaherpesvirus 3	IC50	300000.0	nM	10.1016/j.bmc.2012.04.049
Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	300000.0	nM	10.1016/j.bmc.2012.04.049
Human gammaherpesvirus 4	Human gammaherpesvirus 4	IC50	11000.0	nM	10.1016/j.bmc.2012.04.049
Human gammaherpesvirus 8	Human gammaherpesvirus 8	IC50	30000.0	nM	10.1016/j.bmc.2012.04.049
Rattus norvegicus	Guanine deaminase	Inhibition	nan	%	10.1016/j.bmc.2010.07.054
None	ADMET	CC50	20000.0	nM	10.1016/j.bmc.2012.04.049
None	ADMET	CC50	67000.0	nM	10.1016/j.bmc.2012.04.049
None	NON-PROTEIN TARGET	IC50	16000.0	nM	10.1016/j.bmc.2012.04.049
None	NON-PROTEIN TARGET	IC50	20000.0	nM	10.1016/j.bmc.2012.04.049
None	NON-PROTEIN TARGET	MTD	9.3	uM	10.1021/acs.jmedchem.6b01517
None	Unchecked	IC50	2623000.0	nM	10.1021/acs.jmedchem.7b01066
None	Unchecked	Inhibition	nan	%	10.1016/j.bmc.2010.07.054
None	Unchecked	Kd	4.0	nM	10.1016/j.bmcl.2017.10.052
None	Unchecked	Potency	6309.6	nM	None
None	Unchecked	Potency	29092.9	nM	None