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Compound Detail

CHEMBL121716

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Cc1cnc2ccccc2c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121716
Phase Preclinical
Structure Type MOL
InChI Key RWIQWCMSTPPPNQ-AMRKSYTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.62
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.86
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 C17H17NO3
MW 283.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.97

Literature References

PubMed DOI Target Context # Activities
1992138 10.1021/jm00105a057 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine