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Compound Detail

CHEMBL393386

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COC(=O)C1=C(c2cccc(Cl)c2)C2CCC1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393386
Phase Preclinical
Structure Type MOL
InChI Key VRKMKSUFWAHMQP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.7
MW (Da)
3.70
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.76
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 C15H15ClO2
MW 262.74
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.19

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