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Compound Detail

CHEMBL320875

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O=C(O)[C@H](Cc1ccccc1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320875
Phase Preclinical
Structure Type MOL
InChI Key VKKCXEZHVZXEJS-LLVKDONJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
2.34
ALogP
1
HBA
1
HBD
37.3
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 C12H14O2
MW 190.24
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.44

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11677137 10.1016/s0960-894x(01)00592-3 Unchecked 1

Data from ChEMBL 36 via Core Engine