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Compound Detail

CHEMBL4867056

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COc1cc2c(cc1OC)C1CC(C)(O)C(CC(C)C)CN1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867056
Phase Preclinical
Structure Type MOL
InChI Key YAAPCPQDGSHWSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
3.42
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31NO3
MW 333.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.03

Literature References

PubMed DOI Target Context # Activities
34329999 10.1016/j.ejmech.2021.113718 Synaptic vesicular amine transporter 4

Data from ChEMBL 36 via Core Engine