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Compound Detail

CHEMBL118947

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CCN(CC)CC1CC(=O)c2c([nH]c3ccccc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118947
Phase Preclinical
Structure Type MOL
InChI Key LMMAILCVHOFRRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.25
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.93
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 C17H22N2O
MW 270.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
9934473 10.1016/s0960-894x(98)00639-8 5-hydroxytryptamine receptor 2A 2
9934473 10.1016/s0960-894x(98)00639-8 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine