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Compound Detail

CHEMBL111536

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Cn1cncc1C1CCCc2c(NS(C)(=O)=O)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111536
Phase Preclinical
Structure Type MOL
InChI Key PQVVWVQIVVAYBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
2.26
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O2S
MW 305.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.76

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
- 10.1007/s00044-004-0020-z Alpha-1B adrenergic receptor 2
- 10.1007/s00044-004-0020-z Alpha-1A adrenergic receptor 2
15163201 10.1021/jm030551a Alpha-1D adrenergic receptor 1
- 10.1007/s00044-004-0020-z Alpha-1D adrenergic receptor 1

Data from ChEMBL 36 via Core Engine