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Compound Detail

CHEMBL3582263

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CC(Cc1ccccc1-c1cccc(O)c1)C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582263
Phase Preclinical
Structure Type MOL
InChI Key DGCPOERQYSZMKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.24
ALogP
3
HBA
2
HBD
44.6
PSA (Ų)
0.90
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 C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
26005521 10.1021/acsmedchemlett.5b00115 Adrenergic receptor alpha-2 1
26005521 10.1021/acsmedchemlett.5b00115 Nischarin 1

Data from ChEMBL 36 via Core Engine