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Compound Detail

CHEMBL424573

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CC(c1c[nH]cn1)c1cscc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424573
Phase Preclinical
Structure Type MOL
InChI Key CHPQLNHJRHKNLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
3.39
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9BrN2S
MW 257.16
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
11300868 10.1021/jm0003891 Alpha-1D adrenergic receptor 1
11300868 10.1021/jm0003891 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine