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Compound Detail

CHEMBL394470

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COC(=O)C1=C(c2ccccc2)C2CCC1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394470
Phase Preclinical
Structure Type MOL
InChI Key ZXTICJSOBQXOSW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
1.75
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.79
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 C14H15NO2
MW 229.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.21

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
17517511 10.1016/j.bmc.2007.05.015 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine