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Compound Detail

CHEMBL103831

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COC(=O)c1ccccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103831
Phase Preclinical
Structure Type MOL
InChI Key WNAFVJVEADYQAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
3.14
ALogP
2
HBA
0
HBD
26.3
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 C14H12O2
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
10956207 10.1021/jm000191g Sodium-dependent dopamine transporter 1
10956207 10.1021/jm000191g Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine