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Compound Detail

CHEMBL144956

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c1ccc(-c2ccncc2)c(OCC2=NCCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144956
Phase Preclinical
Structure Type MOL
InChI Key XUDKBTKAFPWCCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.13
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.91
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 C15H15N3O
MW 253.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
11814822 10.1016/s0960-894x(01)00764-8 Alpha-1A adrenergic receptor 2
11814822 10.1016/s0960-894x(01)00764-8 Alpha-1B adrenergic receptor 2
11814822 10.1016/s0960-894x(01)00764-8 Alpha-1D adrenergic receptor 2

Data from ChEMBL 36 via Core Engine