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Compound Detail

CHEMBL148161

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CCc1nc(Cc2nc[nH]n2)c(CC)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148161
Phase Preclinical
Structure Type MOL
InChI Key SWHDPCWJFCCKAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
1.98
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.86
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 C10H14N4S
MW 222.32
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
10602691 10.1021/jm990005a Adrenergic receptor alpha-2 1
10602691 10.1021/jm990005a Mus musculus 1

Data from ChEMBL 36 via Core Engine