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Compound Detail

CHEMBL326437

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CCS(=O)(=O)Nc1cccc2c1CCCC2(O)c1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326437
Phase Preclinical
Structure Type MOL
InChI Key QXDZMDJDFLOFJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
1.74
ALogP
4
HBA
3
HBD
95.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O3S
MW 321.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
15163201 10.1021/jm030551a Alpha-1A adrenergic receptor 2
15163201 10.1021/jm030551a Alpha-1B adrenergic receptor 2
15163201 10.1021/jm030551a Alpha-1D adrenergic receptor 1
15163201 10.1021/jm030551a Alpha adrenergic receptor 1A and 1B 1
15163201 10.1021/jm030551a Alpha adrenergic receptor 1A and 1D 1

Data from ChEMBL 36 via Core Engine