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Compound Detail

CHEMBL41806

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COc1ccc2c(ccn2CCN(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41806
Phase Preclinical
Structure Type MOL
InChI Key HRCTXPIFQNOZCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
2.21
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.78
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 C13H18N2O
MW 218.30
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
11755343 10.1016/s0960-894x(01)00713-2 5-hydroxytryptamine receptor 2A 2
11755343 10.1016/s0960-894x(01)00713-2 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine