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Compound Detail

CHEMBL1865134

DIBUNIC ACID
💊 Approved Drug
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💊 Approved Drug
CC(C)(C)c1ccc2c(S(=O)(=O)O)c(C(C)(C)C)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1865134
Name DIBUNIC ACID
Phase Approved
Structure Type MOL
InChI Key WBEBQCINXJDZCX-UHFFFAOYSA-N

Known Names

Dibunate Dibunato
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
2
Known Names
1
Indications

Molecular Properties

320.4
MW (Da)
4.68
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Achiral

Flags

Withdrawn

Extended Properties

Molecular Formula C18H24O3S
MW 320.45
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.25

Indications

Cough

ATC Classification

R05DB16
dibunate
Level 1: RESPIRATORY SYSTEM
Level 2: COUGH AND COLD PREPARATIONS

Data from ChEMBL 36 via Core Engine