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Compound Detail

CHEMBL255839

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CCNC(=O)[C@@]1(c2ccccc2)CC1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255839
Phase Preclinical
Structure Type MOL
InChI Key UVKUMJGXPDEXSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
1.04
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.79
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 C13H18N2O
MW 218.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
22653299 10.1124/dmd.112.045120 ADMET 9
22653299 10.1124/dmd.112.045120 Plasma 8
18207394 10.1016/j.bmcl.2008.01.011 Sodium-dependent noradrenaline transporter 1
18207394 10.1016/j.bmcl.2008.01.011 Sodium-dependent dopamine transporter 1
18207394 10.1016/j.bmcl.2008.01.011 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine