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Compound Detail

CHEMBL3797886

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CN(C)C(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797886
Phase Preclinical
Structure Type MOL
InChI Key DQPKXUOFRYXKNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.8
MW (Da)
2.37
ALogP
3
HBA
1
HBD
49.1
PSA (Ų)
0.93
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 C15H16ClN3O
MW 289.77
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
26954848 10.1021/acs.jmedchem.5b01528 Alpha-1D adrenergic receptor 1

Data from ChEMBL 36 via Core Engine