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Compound Detail

CHEMBL320589

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CCS(=O)(=O)Nc1cccc(-c2c[nH]cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320589
Phase Preclinical
Structure Type MOL
InChI Key QQPSPRDCHYIONU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
1.84
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.87
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 C11H13N3O2S
MW 251.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.79

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

Data from ChEMBL 36 via Core Engine