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Compound Detail

CHEMBL543535

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CC1=C(CC2=NCC(C)N2)CCc2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543535
Phase Preclinical
Structure Type MOL
InChI Key INMQEMHNQXSEFB-UHFFFAOYSA-N
Parent Compound CHEMBL1192316
Active Moiety CHEMBL1192316
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
3.19
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.84
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 C16H21ClN2
MW 276.81
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
3039138 10.1021/jm00391a034 Adrenergic receptor alpha-2 2

Data from ChEMBL 36 via Core Engine