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Compound Detail

CHEMBL308341

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Cc1cc([C@@H]2[C@@H](CO)CCN2C)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308341
Phase Preclinical
Structure Type MOL
InChI Key QSHYKMIHTHFQLQ-SCZZXKLOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
0.97
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.77
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 C10H16N2O2
MW 196.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80396-6 Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine