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Compound Detail

CHEMBL41305

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C[C@@H]1Cc2ccccc2N[C@@H]1C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41305
Phase Preclinical
Structure Type MOL
InChI Key FPCYPOVQLFREHV-SKDRFNHKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

215.3
MW (Da)
1.66
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N3
MW 215.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
2887657 10.1021/jm00392a005 Adrenergic receptor alpha-2 3
2887657 10.1021/jm00392a005 Mus musculus 1

Data from ChEMBL 36 via Core Engine