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Compound Detail

CHEMBL281413

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CCC(=O)C1C(CC)CC2CCC1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281413
Phase Preclinical
Structure Type MOL
InChI Key PJJUIEUCPSGLBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

209.3
MW (Da)
2.47
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.71
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 C13H23NO
MW 209.33
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
8176704 10.1021/jm00035a005 Sodium-dependent dopamine transporter 1
8176704 10.1021/jm00035a005 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine