VARDENAFIL
ID: CHEMBL1520
Name: VARDENAFIL
Max Phase:
Approved
Learn more
First Approval: 2003
Molecular Formula: C23H32N6O4S
Molecular Weight: 488.61
Molecule Type: Small molecule
Synonyms and Trade Names:
BAY-389456
BAY38-9456
Vardenafil
VARDENAFIL
VIVANZA
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
PubChem BioAssays
Scientific Literature
United States Adopted Names (USAN)
WHO Anatomical Therapeutic Chemical (ATC) Classification of Drugs
SARS-CoV-2 Screening Data
British National Formulary (BNF)
Clinical Candidate Compounds
IMI-CARE SARS-CoV-2 Data
Fraunhofer Institute HDAC6 screening
Karolinska Institute dNTPase SAMHD1 screening
Alternative forms of compound CHEMBL1520
Alternative Forms:
1
2
3
1 - 3 out of 3
5
Showing 1-5
out of 8 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Erectile Dysfunction
|
erectile dysfunction
Impotence
| 4 | |||
| 2. |
Hypertension, Pulmonary
|
pulmonary hypertension
| 3 | |||
| 3. |
Tinnitus
|
Tinnitus
| 2 | |||
| 4. |
Cystic Fibrosis
|
cystic fibrosis
| 2 | |||
| 5. |
Raynaud Disease
|
Raynaud disease
| 2 |
Showing 1-5
out of 8 records
5
Showing 1-1
out of 1 records
| # | Mechanism of Action | Action Type | Target ChEMBL ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|---|---|---|---|---|---|---|---|
| 1. |
Phosphodiesterase 5A inhibitor
|
INHIBITOR
|
Phosphodiesterase 5A
|
SINGLE PROTEIN
|
Homo sapiens
|
---
|
Showing 1-1
out of 1 records
Compounds similar to CHEMBL1520
Compounds with at least 85% similarity.
1
2
3
1 - 3 out of 3
Showing data from CHEMBL1520 (VARDENAFIL) and its 3 alternative forms.
Bioactivity Summary
Total
189
IC50
AC50
Inhibition
Ratio IC50
FC
Potency
Ratio
CL
Ac50
CL_renal
Fu
Ki
T1/2
Vdss
Activity
DILI_Concern
DILI_severity_class
F
F_fraction
Fa
Other
Showing data from CHEMBL1520 (VARDENAFIL) and its 3 alternative forms.
Assay Summary
Total
183
B - Binding
F - Functional
A - ADME
T - Toxicity
P - Physicochemical
Showing data from CHEMBL1520 (VARDENAFIL) and its 3 alternative forms.
Target Summary
Total
77
Enzyme
N/A
Membrane receptor
Ion channel
Transcription factor
Transporter
Unclassified protein
Auxiliary transport protein
Epigenetic regulator
Other cytosolic protein
Histogram Settings
|
Total
31
Journal:
J Med Chem
N/A
Eur J Med Chem
Bioorg Med Chem Lett
Bioorg Med Chem
Nat Chem Biol
Drug Metab Dispos
PLoS Comput Biol
Med Chem Res
J Pharmacol Toxicol Methods
Drug Discov Today
Nat Commun
iScience
The table below displays ChEMBL targets which are predicted to interact with VARDENAFIL (CHEMBL1520). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not VARDENAFIL (CHEMBL1520) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | empty | empty | both | 6 |
| CHEMBL2725 | Beta-lactamase | active | active | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | active | active | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | active | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | inactive | 6 |
Molecular Weight:
488.61
Molecular Weight (Monoisotopic):
488.2206
AlogP:
2.07
#Rotatable Bonds:
8
Polar Surface Area:
112.90
Molecular Species:
NEUTRAL
HBA:
8
HBD:
1
#RO5 Violations:
0
HBA (Lipinski):
10
HBD (Lipinski):
1
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
11.75
CX Basic pKa:
6.21
CX LogP:
1.43
CX LogD:
1.40
Aromatic Rings:
3
Heavy Atoms:
34
QED Weighted:
0.52
Np Likeness Score:
-1.61
UniChem Connectivity Layer Cross References for
CHEMBL1520
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL1159524 | ||||
| CHEMBL496672 | ||||
| CHEMBL2068684 | ||||
| DB03156 | ||||
| DB03511 |
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