Molecule

4-aminobenzamidine

AlkaPlorer ID: AK266278

Synonym: None

IUPAC Name: 4-aminobenzenecarboximidamide

SMILES: N=C(N)C1=CC=C(N)C=C1

InChI: InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)

InChIKey: WPANETAWYGDRLL-UHFFFAOYSA-N

PubChem CID: 1725

CAS: 2498-50-2

SuperNatural Ⅲ: SN0416157

COCONUT: CNP0095026

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 135.17

TPSA？: 75.89

MolLogP？: 0.5528700000000002

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	Potency	18.4	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	33587.5	nM	None
Homo sapiens	MDA-MB-231	Activity	75.0	%	10.1016/j.ejmech.2016.04.030
Homo sapiens	Regulator of G-protein signaling 4	Potency	37685.8	nM	None
Homo sapiens	Thrombopoietin	Potency	7943.3	nM	None
Homo sapiens	Urokinase-type plasminogen activator	IC50	7000.0	nM	10.1021/jm0002228
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Potency	15.8	nM	None
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Potency	22387.2	nM	None
None	ADMET	GI50	nan	None	10.1016/j.ejmech.2016.04.030
None	NON-PROTEIN TARGET	Activity	75.0	%	10.1016/j.ejmech.2016.04.030
None	NON-PROTEIN TARGET	Inhibition	5.0	%	10.1016/j.ejmech.2010.03.044
None	No relevant target	pKa	11.4	None	10.1021/jm0002228
None	Unchecked	IC50	200000.0	nM	10.1021/np980117p
None	Unchecked	Inhibition	20.0	%	10.1021/acs.jmedchem.5b00612
None	Unchecked	Ki	197000.0	nM	10.1016/j.bmcl.2004.07.054