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Compound Detail

CHEMBL566193

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CC(C)(C)NC1CCc2ccc(Cl)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL566193
Phase Preclinical
Structure Type MOL
InChI Key UAAZALAKZAQQRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

251.8
MW (Da)
3.23
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18ClNO
MW 251.76
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
19821577 10.1021/jm901189z Sodium-dependent noradrenaline transporter 2
19821577 10.1021/jm901189z Sodium-dependent serotonin transporter 2
19821577 10.1021/jm901189z Sodium-dependent dopamine transporter 2
19821577 10.1021/jm901189z Mus musculus 1

Data from ChEMBL 36 via Core Engine