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Compound Detail

CHEMBL257978

DABUZALGRON
🧪 Phase II
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🧪 Phase II
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL257978
Name DABUZALGRON
Phase Phase II
Structure Type MOL
InChI Key FOYWMEJSRSBQGB-UHFFFAOYSA-N

Known Names

Dabuzalgron Ro 115-1240
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
1
Mechanisms

Molecular Properties

317.8
MW (Da)
1.40
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -algron
USAN Year 2000

Extended Properties

Molecular Formula C12H16ClN3O3S
MW 317.80
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.04

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Alpha-1a adrenergic receptor partial agonist PARTIAL AGONIST Alpha-1A adrenergic receptor

Activity Summary

EC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-1A adrenergic receptor
CHEMBL229
EC50 7.6 7.6 25.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18400496 10.1016/j.bmcl.2008.03.070 Alpha-1A adrenergic receptor 2
18400496 10.1016/j.bmcl.2008.03.070 Alpha-1B adrenergic receptor 1
18400496 10.1016/j.bmcl.2008.03.070 Alpha-1D adrenergic receptor 1
18400496 10.1016/j.bmcl.2008.03.070 Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine