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Compound Detail

CHEMBL148827

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Cc1nc(Cc2c[nH]cn2)c(C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148827
Phase Preclinical
Structure Type MOL
InChI Key WKCFWEAAAPMYES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.61
ALogP
3
HBA
1
HBD
54.7
PSA (Ų)
0.76
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 C9H11N3O
MW 177.21
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.57

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