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Compound Detail

CHEMBL98123

PAPAVERINE HYDROCHLORIDE
🧪 Phase II
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🧪 Phase II
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98123
Name PAPAVERINE HYDROCHLORIDE
Phase Phase II
Structure Type MOL
InChI Key UOTMYNBWXDUBNX-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL19224
Active Moiety CHEMBL19224

Known Names

Artegodan Cardoverina NSC-35443 Papaver hcl Papaverine hcl Papaverine hydrochloride Papaverini hydrochloridum Vasorin
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
19
Publications
8
Known Names
2
Indications

Molecular Properties

339.4
MW (Da)
3.86
ALogP
5
HBA
0
HBD
49.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -verine

Extended Properties

Molecular Formula C20H22ClNO4
MW 375.85
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.12

Indications

Muscle Cramp Carcinoma, Non-Small-Cell Lung

Activity Summary

IC50 8 meas. best 7.12
EC50 2 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
 IC50 7.12 6.31 76.0 2
Protein RecA
CHEMBL1741171
 EC50 5.52 5.52 3010.0 1
Unchecked
CHEMBL612545
 IC50 5.11 4.8 7800.8 3
Plasmodium falciparum
CHEMBL364
 IC50 5.1 5.1 7943.3 1
Unchecked
CHEMBL612545
 EC50 5.05 5.05 8857.0 1
Human betaherpesvirus 5
CHEMBL371
 IC50 4.68 4.68 21000.0 1
Protein-arginine deiminase type-4
CHEMBL6111
 IC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A IC50 = 76.0 nM 7.12 Inhibition of PDE10A (unknown origin) 35144038
Protein RecA EC50 = 3010.0 nM 5.52 PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... -
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A IC50 = 3162.28 nM 5.5 Inhibition of PDE10A (unknown origin) preincubated for 20 mins followed by subst... 35248836
Unchecked IC50 = 7800.8 nM 5.11 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Unchecked EC50 = 8857.0 nM 5.05 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... -
Unchecked IC50 = 11085.0 nM 4.96 PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... -
Human betaherpesvirus 5 IC50 = 21000.0 nM 4.68 Antiviral activity against HCMV in MRC5 cells by plaque reduction assay 17239594
Protein-arginine deiminase type-4 IC50 = 39000.0 nM 4.41 PUBCHEM_BIOASSAY: Fluorescence-based biochemical dose response assay to identify... -
Unchecked IC50 = 46275.0 nM 4.33 PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00429-5 Acetylcholine receptor subunit delta 6
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
35248836 10.1016/j.ejmech.2022.114218 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1
35144038 10.1016/j.ejmech.2022.114170 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
19734910 10.1038/nchembio.215 Plasmodium falciparum 1
17417631 10.1038/nchembio873 Unchecked 1
17239594 10.1016/j.bmcl.2006.12.085 Unchecked 1
17239594 10.1016/j.bmcl.2006.12.085 Human betaherpesvirus 5 1
17239594 10.1016/j.bmcl.2006.12.085 MRC5 1
3701791 10.1021/jm00155a037 Cavia porcellus 1
7143364 10.1021/jm00352a029 Mus musculus 1
7143364 10.1021/jm00352a029 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine