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Compound Detail

CHEMBL378452

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CC(C)(C)n1nc(Cc2ccccc2Cl)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378452
Phase Preclinical
Structure Type MOL
InChI Key BYCOZCHKPUFNCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
4.40
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.70
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 C19H19ClN2O
MW 326.83
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1D adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1A adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1B adrenergic receptor 1

Data from ChEMBL 36 via Core Engine