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Compound Detail

CHEMBL322907

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Cc1cccc2c1CCC=C2c1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL322907
Phase Preclinical
Structure Type MOL
InChI Key SVYGIVRBEBBEON-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
3.10
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.77
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 C14H14N2
MW 210.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.30

Activity Summary

Ki 2 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-2
CHEMBL2093864
Ki 7.51 7.51 31.0 1
Adrenergic receptor alpha-1
CHEMBL1907610
Ki 6.0 6.0 992.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9301663 10.1021/jm960642q Adrenergic receptor alpha-1 1
9301663 10.1021/jm960642q Adrenergic receptor alpha-2 1
9301663 10.1021/jm960642q Adrenergic receptor alpha 1

Data from ChEMBL 36 via Core Engine