Papaverine Hydrochloride

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL98123
PubChem:	657373
IUPAC:	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydron;chloride
Standard InChI:	InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H
Standard InChI Key:	UOTMYNBWXDUBNX-UHFFFAOYSA-N
SMILES:	COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC.Cl

Molecular propeties
AlogP:	3.86
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	0
Rotatable bonds:	6
Number of rings:	3
Molecular Weight:	339.15
Topological polar surface area:	49.8
Number of aromatic rings:	3
Fsp3:	0.25
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Papaver somniferum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	1995.3 nM	Prelamin-A/C	P02545
Potency	7079.5 nM	Prelamin-A/C	P02545
Potency	31622.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	3162.3 nM	Survival motor neuron protein	Q16637
Potency	2511.9 nM	Survival motor neuron protein	Q16637
Potency	12589.3 nM	Microtubule-associated protein tau	P10636
Potency	6309.6 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	25118.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	37933 nM	Peripheral myelin protein 22	Q01453
Potency	19952.6 nM	Prelamin-A/C	P02545
Potency	6309.6 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	5011.9 nM	MAP kinase ERK2	P28482
Potency	12589.3 nM	MAP kinase ERK2	P28482
Potency	4466.8 nM	MAP kinase ERK2	P28482
Potency	12589.3 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	794.3 nM	Bloom syndrome protein	P54132
Potency	19952.6 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	14125.4 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	3981.1 nM	Alpha-galactosidase A	P06280
Potency	19952.6 nM	Neuropeptide S receptor	Q6W5P4
Potency	794.3 nM	Bloom syndrome protein	P54132
Potency	2511.9 nM	Cytochrome P450 3A4	P08684
Potency	1258.9 nM	Cytochrome P450 3A4	P08684
Potency	2511.9 nM	Cytochrome P450 3A4	P08684
Potency	1258.9 nM	Cytochrome P450 3A4	P08684
Potency	14581 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	1000 nM	M-phase phosphoprotein 8	Q99549
Potency	23109.3 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	89125.1 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
IC50	39000 nM	Protein-arginine deiminase type-4	Q9UM07
Potency	6513.1 nM	Geminin	O75496
Potency	10322.5 nM	Geminin	O75496
Potency	112.2 nM	Geminin	O75496
Potency	11220.2 nM	Glucagon-like peptide 1 receptor	P43220

Papaverine Hydrochloride

Representations & DB's id

Molecular propeties

Plant sources

In vitro data