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Compound Detail

CHEMBL38041

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CC(C)n1c(=O)n(C(=O)CC2CC3CCC(C2)N3C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38041
Phase Preclinical
Structure Type MOL
InChI Key DKNCSSURJOYOSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.29
ALogP
5
HBA
0
HBD
47.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3O2
MW 341.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
1573641 10.1021/jm00086a019 5-hydroxytryptamine receptor 4 1
1573641 10.1021/jm00086a019 Serotonin 3 (5-HT3) receptor 1
1573641 10.1021/jm00086a019 Unchecked 1
1573641 10.1021/jm00086a019 Serotonin 1 (5-HT1) receptor 1
1573641 10.1021/jm00086a019 Serotonin 2 (5-HT2) receptor 1
1573641 10.1021/jm00086a019 D(1A) dopamine receptor 1
1573641 10.1021/jm00086a019 D(2) dopamine receptor 1
1573641 10.1021/jm00086a019 Alpha-1A adrenergic receptor 1
1573641 10.1021/jm00086a019 Adrenergic receptor alpha-2 1
1573641 10.1021/jm00086a019 Adrenergic receptor beta 1

Data from ChEMBL 36 via Core Engine