Molecule

Isoquinoline-3-carboxylic acid

AlkaPlorer ID: AK004604

Synonym: None

IUPAC Name: isoquinoline-3-carboxylic acid

SMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)O

InChI: InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)

InChIKey: KVMMIDQDXZOPAB-UHFFFAOYSA-N

PubChem CID: 124656

CAS: 1578-96-7

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 173.17099999999996

TPSA？: 50.19

MolLogP？: 1.933

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	100000.0	nM	10.1016/j.bmcl.2015.09.014
Homo sapiens	Caco-2	Papp	1.02	10'6cm/s	10.1016/j.ejmech.2011.02.017
Homo sapiens	Caco-2	Papp	9.28	10'6cm/s	10.1016/j.ejmech.2011.02.017
Homo sapiens	Caco-2	Papp	9.47	10'6cm/s	10.1016/j.ejmech.2011.02.017
Homo sapiens	DNA polymerase iota	Potency	100000.0	nM	None
Homo sapiens	HeLa	IC50	1320.15	nM	10.1016/j.ejmech.2011.02.017
Homo sapiens	HeLa	IC50	100000.0	nM	10.1016/j.bmcl.2015.09.014
Homo sapiens	HepG2	IC50	100000.0	nM	10.1016/j.bmcl.2015.09.014
Homo sapiens	HL-60	IC50	948.52	nM	10.1016/j.ejmech.2011.02.017
Homo sapiens	KB	IC50	100000.0	nM	10.1016/j.bmcl.2015.09.014
Homo sapiens	Lysine-specific demethylase 4A	Potency	316.2	nM	None
Homo sapiens	MCF7	IC50	100000.0	nM	10.1016/j.bmcl.2015.09.014
Mus musculus	CCRF S-180	Activity	1.104	g	10.1016/j.bmcl.2015.09.014
Mus musculus	CCRF S-180	Inhibition	11.5	%	10.1016/j.ejmech.2011.02.017
Mus musculus	Mus musculus	Activity	33.0	g	10.1016/j.bmcl.2015.09.014
Mus musculus	Mus musculus	Activity	nan	None	10.1016/j.bmcl.2015.09.014
None	NON-PROTEIN TARGET	IC50	100000.0	nM	10.1016/j.bmcl.2015.09.014