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Compound Detail

CHEMBL261304

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Cn1cc(-c2cccc3c2CCC3c2ncc[nH]2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261304
Phase Preclinical
Structure Type MOL
InChI Key RGODJQWSYIQDDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
2.89
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.77
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 C16H16N4
MW 264.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
18400496 10.1016/j.bmcl.2008.03.070 Alpha-1A adrenergic receptor 2
18400496 10.1016/j.bmcl.2008.03.070 Alpha-1B adrenergic receptor 1
18400496 10.1016/j.bmcl.2008.03.070 Alpha-1D adrenergic receptor 1
18400496 10.1016/j.bmcl.2008.03.070 Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine