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Compound Detail

CHEMBL41549

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c1ccc2c(c1)CCN2C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41549
Phase Preclinical
Structure Type MOL
InChI Key DSXFTSZXODTPPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
1.01
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3
MW 187.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
2887657 10.1021/jm00392a005 Adrenergic receptor alpha-2 2
2887657 10.1021/jm00392a005 Mus musculus 1

Data from ChEMBL 36 via Core Engine