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Compound Detail

CHEMBL1493

FLAVOXATE
💊 Approved Drug
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💊 Approved Drug
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1493
Name FLAVOXATE
Phase Approved
Structure Type MOL
InChI Key SPIUTQOUKAMGCX-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Bladuril Flavoxate Flavoxato
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
2
Indications

Molecular Properties

391.5
MW (Da)
4.41
ALogP
5
HBA
0
HBD
59.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1970
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1968

Extended Properties

Molecular Formula C24H25NO4
MW 391.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.38

Indications

Polyuria Urinary Incontinence

ATC Classification

G04BD02
flavoxate
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: UROLOGICALS

Activity Summary

IC50 1 meas. best 4.62
Ki 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 Ki 4.7 4.7 19750.3 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.62 4.62 24106.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 Ki = 19750.3 nM 4.7 DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) -
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 24106.9 nM 4.62 DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 467
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
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 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
21624500 10.1016/j.drudis.2011.05.007 Hepatotoxicity 1
20020916 10.1080/15376510701857262 Phospholipidosis 1

Data from ChEMBL 36 via Core Engine