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Compound Detail

CHEMBL297896

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COc1cnc(C2=CCCN(C)C2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297896
Phase Preclinical
Structure Type MOL
InChI Key KAWMAYOTFSSNTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
1.40
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.71
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 C10H14N2O2
MW 194.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80368-6 Muscarinic acetylcholine receptor 1
- 10.1016/S0960-894X(00)80368-6 Rattus norvegicus 1
- 10.1016/S0960-894X(00)80368-6 Mus musculus 1

Data from ChEMBL 36 via Core Engine