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Compound Detail

CHEMBL1096979

BENSERAZIDE
🧪 Phase III
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🧪 Phase III
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096979
Name BENSERAZIDE
Phase Phase III
Structure Type MOL
InChI Key BNQDCRGUHNALGH-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Benserazida Benserazide Benserazide (as hydrochloride) Benserazide component of madopar Benserazide component of prolopa Benserazide hcl Benserazide hydrochloride NSC-755907 RO 4-4602 RO-4-4602 Serazide
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
20
Publications
11
Known Names
2
Indications
1
Mechanisms

Molecular Properties

257.2
MW (Da)
-1.76
ALogP
7
HBA
7
HBD
148.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Year 1976

Extended Properties

Molecular Formula C10H15N3O5
MW 257.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.54

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
DOPA decarboxylase inhibitor INHIBITOR Aromatic-L-amino-acid decarboxylase ✓ ✓

Indications

Parkinson Disease Restless Legs Syndrome

Activity Summary

IC50 4 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Replicase polyprotein 1ab
CHEMBL4523582
 IC50 6.85 6.85 140.0 1
Genome polyprotein
CHEMBL2396505
 IC50 5.62 5.62 2400.0 1
Hexokinase-2
CHEMBL2640
 IC50 5.26 5.26 5520.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 70.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Replicase polyprotein 1ab IC50 = 140.0 nM 6.85 SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... -
Genome polyprotein IC50 = 2400.0 nM 5.62 Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia... 27191615
Hexokinase-2 IC50 = 5520.0 nM 5.26 Inhibition of HK2 (unknown origin) using glucose-6-phosphate dehydrogenase as su... 31013087

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
20373811 10.1021/jm901846t No relevant target 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Histamine H2 receptor 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
- 10.1101/2020.04.21.054387 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine