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Compound Detail

CHEMBL4849901

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CCOc1cc2c(cc1OCC1CC1)C1CC(O)C(CC(C)C)CN1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4849901
Phase Preclinical
Structure Type MOL
InChI Key SSCKOUNISCECJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.20
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35NO3
MW 373.54
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
34329999 10.1016/j.ejmech.2021.113718 Synaptic vesicular amine transporter 1

Data from ChEMBL 36 via Core Engine